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CAS 87613-40-9

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2-[(cyanoacetyl)amino]benzoic acid

Description:
2-[(Cyanoacetyl)amino]benzoic acid, with the CAS number 87613-40-9, is an organic compound characterized by the presence of both an amino group and a carboxylic acid group attached to a benzoic acid structure. This compound features a cyanoacetyl substituent, which contributes to its reactivity and potential applications in various chemical reactions. The presence of the cyano group (–C≡N) enhances its electrophilic properties, making it useful in synthetic organic chemistry, particularly in the formation of heterocycles and other complex molecules. The amino group (–NH2) can participate in hydrogen bonding, influencing the compound's solubility and interaction with other molecules. Additionally, the carboxylic acid group (–COOH) provides acidic characteristics, allowing for proton transfer reactions. Overall, 2-[(cyanoacetyl)amino]benzoic acid is a versatile compound with potential applications in pharmaceuticals, agrochemicals, and materials science, owing to its unique functional groups and structural features.
Formula:C10H8N2O3
InChI:InChI=1/C10H8N2O3/c11-6-5-9(13)12-8-4-2-1-3-7(8)10(14)15/h1-4H,5H2,(H,12,13)(H,14,15)
SMILES:c1ccc(c(c1)C(=O)O)N=C(CC#N)O
Synonyms:
  • 2-(2-Cyano-acetylamino)-benzoic acid
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