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CAS Number: 5462-71-5
2-(4-cyanophenyl)acetic acid

Structure

2-(4-cyanophenyl)acetic acid
Name: 2-(4-cyanophenyl)acetic acid
Synonyms:
General Information
Product Number: 5462715

CAS Registry Number 5462-71-5
Name:
Benzeneacetic acid, 4-​cyano-
Acetic acid, (p-cyanophenyl)- (8CI)
(p-Cyanophenyl)acetic acid
2-(4-Cyanophenyl)acetic acid
4-Cyanobenzeneacetic acid
4-Cyanophenylacetic acid

 

Chemical Formula: C9H7NO2
Exact Mass: 161.05
Molecular Weight: 161.16
m/z: 161.05 (100.0%), 162.05 (9.9%)

 

InChI:InChI=1S/C9H7NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12)

InChI Key:WEBXRQONNWEETE-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1CC(=O)O)C#N

 

Thermal Properties Value Condition Note
Melting Point 152-154 °C   (1)CAS

Specification

98%

References
  1. (1) Ohkoshi, Masashi; Tetrahedron 2010, V66(39), P7732-7737 CAPLUS
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