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CAS 72817-94-8

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4-Amino-5-cyano-2-hydroxy-3-methylbenzoic acid

Description:
4-Amino-5-cyano-2-hydroxy-3-methylbenzoic acid, with the CAS number 72817-94-8, is an organic compound that features a benzoic acid structure modified by various functional groups. It contains an amino group (-NH2), a cyano group (-C≡N), and a hydroxyl group (-OH), which contribute to its chemical reactivity and potential applications. The presence of the amino group suggests that it can participate in various reactions typical of amines, such as nucleophilic substitutions. The cyano group can serve as a versatile functional handle for further chemical modifications, while the hydroxyl group may impart solubility in polar solvents and influence the compound's acidity. This compound is likely to exhibit both acidic and basic properties due to the carboxylic acid and amino functionalities, respectively. Its structural features may also allow for hydrogen bonding, affecting its physical properties such as melting point and solubility. Overall, 4-Amino-5-cyano-2-hydroxy-3-methylbenzoic acid is of interest in various fields, including pharmaceuticals and materials science, due to its diverse functional groups.
Formula:C9H8N2O3
InChI:InChI=1S/C9H8N2O3/c1-4-7(11)5(3-10)2-6(8(4)12)9(13)14/h2,12H,11H2,1H3,(H,13,14)
InChI key:InChIKey=PMIRQABZZUUPJI-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC(C#N)=C(N)C(C)=C1O
Synonyms:
  • 4-Amino-5-cyano-2-hydroxy-3-methylbenzoic acid
  • Benzoic acid, 4-amino-5-cyano-2-hydroxy-3-methyl-
  • Benzoic acid, 4-amino-5-cyano-2-hydroxy-3-methyl- (9CI)
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