3-(1-Cyanoethyl)benzoic acid
CAS Registry Number®
5537-71-3
CAS Name
3-(1-Cyanoethyl)benzoic acidMolecular Formula
C10H9NO2Molecular Mass
175.18Cite this Page
3-(1-Cyanoethyl)benzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=5537-71-3 (retrieved ) (CAS RN: 5537-71-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
140-141 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)
InChIKey
InChIKey=IRYIYPWRXROPSX-UHFFFAOYSA-N
SMILES
C(C#N)(C)C1=CC(C(O)=O)=CC=C1
Canonical SMILES
N#CC(C=1C=CC=C(C1)C(=O)O)C
Other Names for this Substance
- Benzoic acid, 3-(1-cyanoethyl)-
- Benzoic acid, m-(1-cyanoethyl)-
- 3-(1-Cyanoethyl)benzoic acid
- 2-(3-Carboxyphenyl)propionitrile
- m-(1-Cyanoethyl)benzoic acid
