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CAS Number: 127510-95-6
methyl 2-cyano-5-methoxybenzoate

Structure

 methyl 2-cyano-5-methoxybenzoate
Name: methyl 2-cyano-5-methoxybenzoate
Synonyms:
General Information
Product Number: 127510956

CAS Registry Number 127510-95-6
Name:
Benzoic acid, 2-?cyano-?5-?methoxy-?, methyl ester
2-Cyano-5-methoxybenzoic acid methyl ester

 

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

InChI Key:YIRZMMZVHCFIAK-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 74-77 °C   (1)IC

Specification

98%
References
  1. (1) Wroel, Jay E.; US 4900739 A 1990 CAPLUS
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