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CAS Number: 1878-71-3
2-(3-cyanophenyl)acetic acid

Structure

2-(3-cyanophenyl)acetic acid
Name: 2-(3-cyanophenyl)acetic acid
Synonyms:
General Information
Product Number: 1878713

CAS Registry Number 1878-71-3
Name:
Benzeneacetic acid, 3-​cyano-
Acetic acid, (m-cyanophenyl)- (7CI,8CI)
(m-Cyanophenyl)acetic acid
2-(3-Cyanophenyl)acetic acid
3-Cyanobenzeneacetic acid
3-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/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5H2,(H,11,12)

InChI Key:ZNXMNKGBHYVNNE-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 117.5-118.5 °C   (2)CAS
Melting Point 116-118 °C   (1)CAS
Melting Point 114 °C   (3)CAS

Specification

98%

References
  1. (1) Ohkoshi, Masashi; Tetrahedron 2010, V66(39), P7732-7737 CAPLUS
  2. (2) Neher, R.; Helvetica Chimica Acta 1946, V29, P449-67 CAPLUS
  3. (3) Baker, John W.; Journal of the Chemical Society 1956, P404-14 CAPLUS
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