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CAS 129488-74-0

:

4-(1-Cyano-1-methylethyl)benzoic acid

Description:
4-(1-Cyano-1-methylethyl)benzoic acid, with the CAS number 129488-74-0, is an organic compound characterized by its benzoic acid structure substituted with a cyano group and a branched alkyl group. This compound typically exhibits properties associated with both aromatic and carboxylic acid functionalities, including potential acidity due to the carboxyl group (-COOH) and the ability to participate in hydrogen bonding. The presence of the cyano group (-CN) introduces polarity, which can enhance solubility in polar solvents. The branched alkyl substituent contributes to the compound's steric properties, potentially influencing its reactivity and interactions with other molecules. This compound may be utilized in various chemical syntheses or as an intermediate in the production of pharmaceuticals and agrochemicals. Its specific physical properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the overall structure, which can be further explored through experimental data or computational chemistry methods.
Formula:C11H11NO2
InChI:InChI=1S/C11H11NO2/c1-11(2,7-12)9-5-3-8(4-6-9)10(13)14/h3-6H,1-2H3,(H,13,14)
InChI key:InChIKey=MAVFXLXXHAMJTB-UHFFFAOYSA-N
SMILES:C(C#N)(C)(C)C1=CC=C(C(O)=O)C=C1
Synonyms:
  • 4-(2-Cyanopropan-2-yl)benzoic acid
  • 4-(1-Cyano-1-methylethyl)benzoic acid
  • Benzoic acid, 4-(1-cyano-1-methylethyl)-
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