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CAS Number: 27916-43-4
3-(2-cyanophenyl)propanoic acid

Structure

3-(2-cyanophenyl)propanoic acid
Name: 3-(2-cyanophenyl)propanoic acid
Synonyms:
General Information
Product Number: 27916434

CAS Registry Number 27916-43-4
Name:
Benzenepropanoic acid, 2-?cyano-
Hydrocinnamic acid, o-cyano- (6CI,8CI)
2-Cyanobenzenepropanoic acid
3-(2-Cyanophenyl)propanoic acid
3-(o-Cyanophenyl)propionic acid

 

Chemical Formula: C10H9NO2
Exact Mass: 175.06
Molecular Weight: 175.18
m/z: 175.06 (100.0%), 176.07 (11.0%)

 

InChI:InChI=1S/C10H9NO2/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-4H,5-6H2,(H,12,13)

InChI Key:ZVPSKABEFALNET-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 127 °C   (1)CAS
Melting Point 127 °C   (2)CAS
Melting Point 125-126 °C   (3)CAS

Specification

98%

References
  1. (1) Edwards, G. A.; Journal of the Chemical Society 1926, P813-7 CAPLUS
  2. (2) Tamayo, M. Lora; Anales de la Real Sociedad Espanola de Fisica y Quimica, Serie A: Fisica 1948, V44B, P990-1004 CAPLUS
  3. (3) Huisgen, Rolf; Justus Liebigs Annalen der Chemie 1961, V641, P51-62 CAPLUS
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