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CAS Number: 156001-68-2
methyl 3-cyano-4-hydroxybenzoate

Structure

methyl 3-cyano-4-hydroxybenzoate
Name: methyl 3-cyano-4-hydroxybenzoate
Synonyms:
General Information
Product Number: 156001682
CAS Registry Number: 156001-68-2
Name:
        Benzoic acid, 3-​cyano-​4-​hydroxy-​, methyl ester
        3-​Cyano-​4-​hydroxybenzoic acid methyl ester; Methyl 3-​cyano-​4-​hydroxybenzoate 
 
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%)
Elemental Analysis: C, 61.02; H, 3.98; N, 7.91; O, 27.09
 
InChI: InChI=1S/C9H7NO3/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4,11H,1H3
InChIKey: AHPCEMBOTQXADD-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1)O)C#N
 
Thermal Properties Value Condition Note
Melting Point 167-168 °C Solv: methanol (67-56-1); water (7732-18-5) (1)CAS

Specification

98%

References
  1. (1) Wessely, I. F.; Monatshefte fuer Chemie 1966, V97(2), P570-8 CAPLUS
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