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CAS Number: 89469-52-3
4-cyano-2-methoxybenzoic acid

Structure

4-cyano-2-methoxybenzoic acid
Name: 4-cyano-2-methoxybenzoic acid
Synonyms:
General Information
Product Number: 89469523

CAS Registry Number 89469-52-3
Name:
Benzoic acid, 4-​cyano-​2-​methoxy-
2-Methoxy-4-cyanobenzoic acid
4-Cyano-2-methoxybenzoic acid

 

Chemical Formula: C9H7NO3
Exact Mass: 177.04
Molecular Weight: 177.16
m/z: 177.04 (100.0%), 178.05 (9.9%), 179.05 (1.1%)

 

InChI:InChI=1S/C9H7NO3/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4H,1H3,(H,11,12)

InChI Key:ZMYZUBQHLGJMDS-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=CC(=C1)C#N)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 178-180 °C Solv: water (7732-18-5) (1)CAS

Specification

98%

References
  1. (1) Bay, Paul G.; Journal of the American Pharmaceutical Association (1912-1977) 1955, V44, P585-91 CAPLUS
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