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CAS Number: 40757-12-8
methyl 5-cyano-2-methoxybenzoate

Structure

methyl 5-cyano-2-methoxybenzoate
Name: methyl 5-cyano-2-methoxybenzoate
Synonyms:
General Information
Product Number: 40757128

CAS Registry Number 40757-12-8
Name:
Benzoic acid, 5-​cyano-​2-​methoxy-​, methyl ester
5-Cyano-2-methoxybenzoic acid methyl ester
Methyl 2-methoxy-5-cyanobenzoate
Methyl 5-cyano-2-methoxybenzoate

 

Chemical Formula: C10H9NO3
Exact Mass: 191.06
Molecular Weight: 191.18
m/z: 191.06 (100.0%), 192.06 (11.4%), 193.06 (1.2%)

 

InChI:InChI=1S/C10H9NO3/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-5H,1-2H3

InChI Key:PIXOBZFOAGWQGO-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 101-103 °C Solv: ligroine (8032-32-4); ethyl acetate (141-78-6) (1)CAS

Specification

98%

References
  1. (1) Zhou, Wang; Angewandte Chemie, International Edition 2009, V48(38), P7094-7097, S7094/1-S7094/61 CAPLUS
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