3-HYDROXY-5-METHYL-BENZOIC ACID - ≥97% , CAS No.585-81-9

CAS: 585-81-9 Cat. No.: H194080 Summenformel: C₈H₈O₃ Molekulargewicht: 152.15 EG-Nummer: 963-928-3

GRADE & PURITY ≥97%

Synonyms

AKOS005259855 | 3-hydroxy-5-methylbenzoic aicd | NSC 28456 | AC-944 | AM84165 | Z1198232670 | 3-methyl-5-hydroxy-benzoic acid | AW5 | SCHEMBL987044 | 3-hydroxy-5-methylbenzoic acid | 3-Hydroxy-5-methyl-benzoic acid | 3-hydroxy-5-methylbenzoicacid | 3-HYDR

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS005259855 | 3-hydroxy-5-methylbenzoic aicd | NSC 28456 | AC-944 | AM84165 | Z1198232670 | 3-methyl-5-hydroxy-benzoic acid | AW5 | SCHEMBL987044 | 3-hydroxy-5-methylbenzoic acid | 3-Hydroxy-5-methyl-benzoic acid | 3-hydroxy-5-methylbenzoicacid | 3-HYDR

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488188826

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188826

Kanonisches Lächeln

CC1=CC(=CC(=C1)O)C(=O)O

IUPAC Name

3-hydroxy-5-methylbenzoic acid

InChIKey

CFXOUQXGRQXUSE-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)

Isomere SMILES

CC1=CC(=CC(=C1)O)C(=O)O

Molekulargewicht

152.15

Reaxy-Rn

2082430

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082430&ln=

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: Hydroxybenzoic acid derivatives
• Alternative Parents: Benzoic acids Meta cresols Benzoyl derivatives Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzoic acid - Benzoic acid - Benzoyl - M-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• External Descriptors: Not available

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

Zugehörige Ziele (nicht menschlich)

Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 152.150 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• 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: 155.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 585-81-9, the molecular formula is C8H8O3, and the molecular weight is 152.15 g/mol. InChIKey CFXOUQXGRQXUSE-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.