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CAS 126739-90-0

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3-CYANO-5-(METHOXYCARBONYL)BENZOIC ACID

Description:
3-Cyano-5-(methoxycarbonyl)benzoic acid is an organic compound characterized by its aromatic structure, which includes a cyano group (-CN) and a methoxycarbonyl group (-COOCH3) attached to a benzoic acid framework. This compound typically exhibits properties such as being a solid at room temperature, with moderate solubility in polar organic solvents due to the presence of both polar and nonpolar functional groups. The cyano group contributes to its potential reactivity, making it useful in various synthetic applications, including the synthesis of pharmaceuticals and agrochemicals. The methoxycarbonyl group enhances its reactivity and solubility characteristics, allowing for further derivatization. Additionally, the presence of the carboxylic acid functional group (-COOH) indicates that it can participate in acid-base reactions, making it a versatile intermediate in organic synthesis. Overall, 3-cyano-5-(methoxycarbonyl)benzoic acid is a valuable compound in chemical research and development, particularly in the fields of medicinal chemistry and materials science.
Formula:C10H7NO4
InChI:InChI=1/C10H7NO4/c1-15-10(14)8-3-6(5-11)2-7(4-8)9(12)13/h2-4H,1H3,(H,12,13)
SMILES:COC(=O)c1cc(cc(c1)C(=O)O)C#N
Synonyms:
  • Chempacific 41248
  • 5-Cyanoisophthalic Acid Monomethyl Ester
  • 5-Cyanoisophthalic Acid Monomethylestermono-Methyl 5-Cyanoisophthalate
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