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CAS 83140-96-9

:

2-Methyl-3-(1H-pyrrol-1-yl)benzoic acid

Description:
2-Methyl-3-(1H-pyrrol-1-yl)benzoic acid, with the CAS number 83140-96-9, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a methyl group and a pyrrole ring. This compound typically exhibits properties associated with both aromatic and carboxylic acid functionalities, such as moderate solubility in polar solvents and potential for hydrogen bonding due to the carboxylic acid group. The presence of the pyrrole ring may impart additional reactivity and influence the compound's biological activity, making it of interest in medicinal chemistry. Its molecular structure suggests it may participate in various chemical reactions, including esterification and amidation. The compound's characteristics, such as melting point, boiling point, and spectral properties (like NMR and IR), would be essential for identifying and utilizing it in research or industrial applications. Overall, 2-Methyl-3-(1H-pyrrol-1-yl)benzoic acid represents a versatile building block in organic synthesis and pharmaceutical development.
Formula:C12H11NO2
InChI:InChI=1S/C12H11NO2/c1-9-10(12(14)15)5-4-6-11(9)13-7-2-3-8-13/h2-8H,1H3,(H,14,15)
InChI key:InChIKey=TVJDAMBKDKJGKD-UHFFFAOYSA-N
SMILES:CC1=C(C=CC=C1C(O)=O)N2C=CC=C2
Synonyms:
  • 2-Methyl-3-(1H-pyrrol-1-yl)benzoic acid
  • Benzoic acid, 2-methyl-3-(1H-pyrrol-1-yl)-
  • 2-Methyl-3-pyrrol-1-yl-benzoic acid
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