Name: Benzoic acid - AR, ≥99.5% , CAS No.65-85-0
Brand: Aladdin Scientific
SKU: B116255
Availability: InStock

Spezifikationen Namen und Kennungen Dokumentation Erweiterte Daten Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften FAQs und Artikel Citations of This Product Lösungsrechner Bewertungen

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Warum diese Qualität

AR, ≥99.5% AR für empfindliche chromatographische und analytische Workflows, die minimale Basislinieninterferenzen erfordern.

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Room temperature Versand Normal. Genaue Spezifikationen finden Sie im chargenspezifischen COA.

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SDS, COA, Datenblatt und Spezifikationsblatt stehen zum Download bereit. Chargenspezifische COA über Chargennummernsuche abrufbar.

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Literaturbeleg

In 844 peer-reviewten Publikationen zu Chromatographie, organischer Synthese und Kreuzkupplungsreaktionen zitiert.

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Synonyme

Spezifikationen & Reinheit

AR, ≥99.5%

Storage

Room temperature

Verschickt in

Normal

Note

Reinheit

≥99.5%

Namen und Kennungen

Pubchem Sid

488179505

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179505

Kanonisches Lächeln

C1=CC=C(C=C1)C(=O)O

IUPAC Name

benzoic acid

InChIKey

WPYMKLBDIGXBTP-UHFFFAOYSA-N

INCHI

1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

Isomere SMILES

C1=CC=C(C=C1)C(=O)O

WGK Deutschland

RTECS

DG0875000

UN-Nummer

UN 1268

Verpackungsgruppe

Molekulargewicht

122.12

Beilstein

636131

Reaxy-Rn

636131

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636131&ln=

Dokumentation

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Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Klasse Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Klasse	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Benzoyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors	benzoic acids
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D-Struktur

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PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

Discover Target: PDE5A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

F2 Tclin Thrombin (11687 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HMGCR Tclin HMG-CoA reductase (2475 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

INSR Tclin Insulin receptor (5558 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PGR Tclin Progesterone receptor (8562 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

Discover Target: ADRB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

Discover Target: HTR1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TYR Tclin Tyrosinase (717 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOA Tclin Monoamine oxidase A (11911 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD4 Tchem Dopamine D4 receptor (7907 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHE Tclin Acetylcholinesterase (18204 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

Discover Target: SLC6A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HRH2 Tclin Histamine H2 receptor (5428 Activities)

Discover Target: HRH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

Discover Target: ADRA1D

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

Discover Target: HTR1B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

Discover Target: HTR2C

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CALCR Tclin Calcitonin receptor (2215 Activities)

Discover Target: CALCR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC6A4 Tclin Serotonin transporter (12625 Activities)

Discover Target: SLC6A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

Discover Target: ADRA1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HRH1 Tclin Histamine H1 receptor (7573 Activities)

Discover Target: HRH1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

Discover Target: ADRA1B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OPRM1 Tclin Mu opioid receptor (19785 Activities)

Discover Target: OPRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD3 Tclin Dopamine D3 receptor (14368 Activities)

Discover Target: DRD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

Discover Target: AVPR1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OPRD1 Tclin Delta opioid receptor (15096 Activities)

Discover Target: OPRD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OPRK1 Tclin Kappa opioid receptor (16155 Activities)

Discover Target: OPRK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC18A2 Tclin Synaptic vesicular amine transporter (118 Activities)

Discover Target: SLC18A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)

Discover Target: HTR4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

Discover Target: PDE3A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)

Discover Target: Agtr2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mc4r Melanocortin receptor 4 (1205 Activities)

Discover Target: Mc4r

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Ltc4s Leukotriene C4 synthase (1 Activities)

Discover Target: Ltc4s

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Npy1r Neuropeptide Y receptor type 1 (8 Activities)

Discover Target: Npy1r

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cckar Cholecystokinin A receptor (90 Activities)

Discover Target: Cckar

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Lot Number	Certificate Type	Datum	Artikel
L2221051	Certificate of Analysis	Sep 21, 2026	B116255
L2221047	Certificate of Analysis	Sep 21, 2026	B116255
I2615843	Certificate of Analysis	Sep 18, 2026	B116255
I2615844	Certificate of Analysis	Sep 18, 2026	B116255
I2615849	Certificate of Analysis	Sep 18, 2026	B116255
I2615848	Certificate of Analysis	Sep 18, 2026	B116255
I2615847	Certificate of Analysis	Sep 18, 2026	B116255
I2615846	Certificate of Analysis	Sep 18, 2026	B116255
I2615845	Certificate of Analysis	Sep 18, 2026	B116255
E2621274	Certificate of Analysis	Jun 03, 2026	B116255
E2621286	Certificate of Analysis	Jun 03, 2026	B116255
E2621288	Certificate of Analysis	Jun 03, 2026	B116255
E2621295	Certificate of Analysis	Jun 03, 2026	B116255
A2604256	Certificate of Analysis	Jan 09, 2026	B116255
A2604288	Certificate of Analysis	Jan 09, 2026	B116255
A2604287	Certificate of Analysis	Jan 09, 2026	B116255
A2604286	Certificate of Analysis	Jan 09, 2026	B116255
K2527015	Certificate of Analysis	Aug 25, 2025	B116255
H2521291	Certificate of Analysis	Aug 25, 2025	B116255
H2521290	Certificate of Analysis	Aug 25, 2025	B116255
H2521289	Certificate of Analysis	Aug 25, 2025	B116255
H2521288	Certificate of Analysis	Aug 25, 2025	B116255
H2521286	Certificate of Analysis	Aug 25, 2025	B116255
G2610080	Certificate of Analysis	Aug 25, 2025	B116255
L2522199	Certificate of Analysis	Aug 25, 2025	B116255
D2525237	Certificate of Analysis	May 08, 2025	B116255
D2525154	Certificate of Analysis	May 08, 2025	B116255
D2525111	Certificate of Analysis	May 08, 2025	B116255
D2525110	Certificate of Analysis	May 08, 2025	B116255
B2506327	Certificate of Analysis	Feb 11, 2025	B116255
B2506329	Certificate of Analysis	Feb 11, 2025	B116255
B2506334	Certificate of Analysis	Feb 11, 2025	B116255
B2506335	Certificate of Analysis	Feb 11, 2025	B116255
B2506336	Certificate of Analysis	Feb 11, 2025	B116255
L2418768	Certificate of Analysis	Dec 20, 2024	B116255
L2418722	Certificate of Analysis	Dec 20, 2024	B116255
L2418779	Certificate of Analysis	Dec 20, 2024	B116255
L2418718	Certificate of Analysis	Dec 20, 2024	B116255
J2412403	Certificate of Analysis	Oct 19, 2024	B116255
J2412333	Certificate of Analysis	Oct 19, 2024	B116255
E2423440	Certificate of Analysis	Jun 03, 2024	B116255
E2423175	Certificate of Analysis	Jun 03, 2024	B116255
E2423174	Certificate of Analysis	Jun 01, 2024	B116255
K2309596	Certificate of Analysis	Nov 15, 2023	B116255
K2309595	Certificate of Analysis	Nov 15, 2023	B116255
K2309589	Certificate of Analysis	Nov 15, 2023	B116255
K2309577	Certificate of Analysis	Nov 15, 2023	B116255
K2309576	Certificate of Analysis	Nov 15, 2023	B116255
J2311233	Certificate of Analysis	Oct 18, 2023	B116255
J2311225	Certificate of Analysis	Oct 18, 2023	B116255
J2311224	Certificate of Analysis	Oct 18, 2023	B116255
G2326139	Certificate of Analysis	Aug 01, 2023	B116255
G2326152	Certificate of Analysis	Aug 01, 2023	B116255
G2326141	Certificate of Analysis	Aug 01, 2023	B116255
F23061123	Certificate of Analysis	Jun 17, 2023	B116255
F23061129	Certificate of Analysis	Jun 17, 2023	B116255
F23061070	Certificate of Analysis	Jun 17, 2023	B116255
F23061122	Certificate of Analysis	Jun 17, 2023	B116255
F23061130	Certificate of Analysis	Jun 17, 2023	B116255
C2408173	Certificate of Analysis	Jun 17, 2023	B116255
F23061131	Certificate of Analysis	Jun 17, 2023	B116255
C2329657	Certificate of Analysis	Apr 04, 2023	B116255
C2329655	Certificate of Analysis	Apr 04, 2023	B116255
C2329652	Certificate of Analysis	Apr 04, 2023	B116255
C2329651	Certificate of Analysis	Apr 04, 2023	B116255
C2329650	Certificate of Analysis	Apr 04, 2023	B116255
L2221053	Certificate of Analysis	Jan 03, 2023	B116255
L2221052	Certificate of Analysis	Jan 03, 2023	B116255
L2221048	Certificate of Analysis	Jan 03, 2023	B116255
L2221049	Certificate of Analysis	Jan 03, 2023	B116255
L2221050	Certificate of Analysis	Jan 03, 2023	B116255
H2223250	Certificate of Analysis	Aug 30, 2022	B116255
H2223249	Certificate of Analysis	Aug 30, 2022	B116255
H2223106	Certificate of Analysis	Aug 30, 2022	B116255
H2223251	Certificate of Analysis	Aug 30, 2022	B116255
C2209285	Certificate of Analysis	Mar 14, 2022	B116255
C2209290	Certificate of Analysis	Mar 14, 2022	B116255
C2209268	Certificate of Analysis	Mar 14, 2022	B116255
C2209289	Certificate of Analysis	Jun 26, 2021	B116255
F2123164	Certificate of Analysis	Jun 26, 2021	B116255
C2209269	Certificate of Analysis	Jun 26, 2021	B116255

Empfindlichkeit	Moisture sensitive.
Brechungsindex	1.504
Siedepunkt (°C)	249°C
Schmelzpunkt (°C)	121-125℃
Molekulargewicht	122.120 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	122.037 Da
Monoisotopic Mass	122.037 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Benzoic acid - AR, ≥99.5% , CAS No.65-85-0

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