GRADE & PURITY ≥98%

Synonyms

Acetic acid, (2,3-dimethoxyphenyl)- | CL8882 | 2,3-Dimethoxyphenylacetic acid | SCHEMBL991380 | (2,3-Dimethoxyphenyl)acetic acid, AldrichCPR | FT-0609684 | NSC12232 | NSC-12232 | AS-46131 | 2,3-Dimethoxy-benzeneacetic acid | 2,3-dimethoxyphenyl acetic aci

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Acetic acid, (2, 3-dimethoxyphenyl)- | CL8882 | 2, 3-Dimethoxyphenylacetic acid | SCHEMBL991380 | (2, 3-Dimethoxyphenyl)acetic acid, AldrichCPR | FT-0609684 | NSC12232 | NSC-12232 | AS-46131 | 2, 3-Dimethoxy-benzeneacetic acid | 2, 3-dimethoxyphenyl acetic aci

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187835
• Canonical Smiles: COC1=CC=CC(=C1OC)CC(=O)O
• IUPAC Name: 2-(2,3-dimethoxyphenyl)acetic acid
• InChIKey: UZULEJNWMHZSGY-UHFFFAOYSA-N
• INCHI: 1S/C10H12O4/c1-13-8-5-3-4-7(6-9(11)12)10(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
• Isomeric SMILES: COC1=CC=CC(=C1OC)CC(=O)O
• Molecular Weight: 196.2
• Reaxy-Rn: 2645541
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2645541&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy 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

Chemical and Physical Properties

• Refractive Index: n20D1.53
• Boil Point(°C): 318.2° C at 760 mmHg
• Melt Point(°C): 82-84° C
• Molecular Weight: 196.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 14
• 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