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CAS 113496-14-3

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1-Methyl 3-carboxybenzeneacetate

Description:
1-Methyl 3-carboxybenzeneacetate, also known by its IUPAC name, is an organic compound characterized by the presence of a methyl group and a carboxylic acid functional group attached to a benzene ring. This compound features an ester functional group, which is formed from the reaction of a carboxylic acid and an alcohol. Its molecular structure includes a benzene ring substituted with a methyl group at the first position and a carboxylic acid moiety at the third position, along with an acetate group. This configuration contributes to its unique chemical properties, including solubility in organic solvents and potential reactivity in various chemical reactions, such as esterification and hydrolysis. The compound may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. Its CAS number, 113496-14-3, allows for easy identification in chemical databases. Overall, 1-Methyl 3-carboxybenzeneacetate is a versatile compound with applications in organic synthesis and potential implications in medicinal chemistry.
Formula:C10H10O4
InChI:InChI=1S/C10H10O4/c1-14-9(11)6-7-3-2-4-8(5-7)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI key:InChIKey=SGFXNNKRAMZCNF-UHFFFAOYSA-N
SMILES:C(C(OC)=O)C1=CC(C(O)=O)=CC=C1
Synonyms:
  • Methyl 3-carboxyphenylacetate
  • 1-Methyl 3-carboxybenzeneacetate
  • Benzeneacetic acid, 3-carboxy-, α-methyl ester
  • Benzeneacetic acid, 3-carboxy-, 1-methyl ester
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