DL-Mandelic acid - ≥99% , CAS No.611-72-3

CAS: 611-72-3 Cat. No.: D304135 분자식: C₈H₈O₃ 분자량: 152.15 EC 번호: 210-277-1

GRADE & PURITY ≥99%

Synonyms

s3363 | (+/-)-alpha-Hydroxybenzeneacetic acid | alpha-Hydroxybenzeneacetic acid | (.+/-.)-Mandelic acid | CHEBI:35825 | EINECS 202-007-6 | MANDELIC ACID | Phenylacetic acid, alpha-hydroxy- | acidomandelico | hyroxyphenylacetic acid | Kyselina mandlova | U

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

동의어

s3363 | (+/-)-alpha-Hydroxybenzeneacetic acid | alpha-Hydroxybenzeneacetic acid | (.+/-.)-Mandelic acid | CHEBI:35825 | EINECS 202-007-6 | MANDELIC ACID | Phenylacetic acid, alpha-hydroxy- | acidomandelico | hyroxyphenylacetic acid | Kyselina mandlova | U

사양 및 순도

≥99%

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

504750482

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750482

정식 스마일

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

IUPAC Name

2-hydroxy-2-phenylacetic acid

InChIKey

IWYDHOAUDWTVEP-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)

이성체 SMILES

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

분자량

152.15

Reaxy-Rn

510011

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=510011&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxy acid - Monocyclic benzene moiety - Alpha-hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: benzenes - 2-hydroxy monocarboxylic acid

Data sources

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

관련 대상(인간)

PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 Activities)

Discover Target: PTPN7

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GAPDH Tchem Glyceraldehyde-3-phosphate dehydrogenase liver (1284 Activities)

Discover Target: GAPDH

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HepG2 (196354 Activities)

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SLC16A1 Tchem Monocarboxylate transporter 1 (146 Activities)

Discover Target: SLC16A1

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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HSPA1A Tchem Heat shock 70 kDa protein 1 (164 Activities)

Discover Target: HSPA1A

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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SLC16A7 Tchem Monocarboxylate transporter 2 (11 Activities)

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OPM-2 (216 Activities)

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관련 대상(비인간)

ampC Beta-lactamase AmpC (62480 Activities)

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blaZ Beta-lactamase (285 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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HD1 Histone deacetylase (38 Activities)

Discover Target: HD1

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Plasmodium falciparum (966862 Activities)

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Dusp6 Dual specificity protein phosphatase 6 (459 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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HSPA8 Heat shock cognate 71 kDa protein (1 Activities)

Discover Target: HSPA8

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작용 메커니즘

화학 및 물리적 특성

• 발화점(°C): 162.6ºC
• 끓는점(°C): 321.8ºC
• 녹는점(°C): 120-122ºC
• 분자량: 152.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 611-72-3, the molecular formula is C8H8O3, and the molecular weight is 152.15 g/mol. InChIKey IWYDHOAUDWTVEP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.