2,3-Dihydroxy-4-methoxybenzoic acid - ≥95% , CAS No.3934-81-4

CAS: 3934-81-4 Cat. No.: B301227 Fórmula: C₈H₈O₅ Peso molecular: 184.15

GRADE & PURITY ≥95%

Synonyms

O-PYROCATECHUIC ACID, 4-METHOXY- | HY-N9311 | 4-Methoxy-2,3-dihydroxybenzoic acid | AKOS009277697 | DTXSID50192560 | NSC 156949 | 2,3-DIHYDROXY-4-METHOXY BENZOIC ACID | EINECS 223-511-2 | FT-0635064 | 2,3-Dihydroxy-p-anisic acid | 4-Methoxy-2,3-dihydroxyb

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

O-PYROCATECHUIC ACID, 4-METHOXY- | HY-N9311 | 4-Methoxy-2,3-dihydroxybenzoic acid | AKOS009277697 | DTXSID50192560 | NSC 156949 | 2,3-DIHYDROXY-4-METHOXY BENZOIC ACID | EINECS 223-511-2 | FT-0635064 | 2,3-Dihydroxy-p-anisic acid | 4-Methoxy-2,3-dihydroxyb

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

COC1=C(C(=C(C=C1)C(=O)O)O)O

IUPAC Name

2,3-dihydroxy-4-methoxybenzoic acid

InChIKey

YGDRPEIHNMXLJM-UHFFFAOYSA-N

INCHI

1S/C8H8O5/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3,9-10H,1H3,(H,11,12)

SMILES isoméricas

COC1=C(C(=C(C=C1)C(=O)O)O)O

Peso molecular

184.15

Reaxy-Rn

2693558

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2693558&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 P-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: P-methoxybenzoic acids and derivatives
• Alternative Parents: Salicylic acids Methoxyphenols Benzoic acids Phenoxy compounds Methoxybenzenes Catechols Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-methoxybenzoic acid or derivatives - Salicylic acid - Salicylic acid or derivatives - Methoxyphenol - Hydroxybenzoic acid - Benzoic acid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzoyl - Catechol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
• 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

Propriedades químicas e físicas

• Peso molecular: 184.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 184.037 Da
• Monoisotopic Mass: 184.037 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 193.000
• 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

Perguntas frequentes

How is this product shipped?

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

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 3934-81-4, the molecular formula is C8H8O5, and the molecular weight is 184.15 g/mol. InChIKey YGDRPEIHNMXLJM-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.