2-(Cyanomethyl)benzoic acid
CAS Registry Number®
6627-91-4
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CAS Name
2-(Cyanomethyl)benzoic acidMolecular Formula
C9H7NO2Molecular Mass
161.16Cite this Page
2-(Cyanomethyl)benzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=6627-91-4 (retrieved ) (CAS RN: 6627-91-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
126 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12)
InChIKey
InChIKey=AGXBHBJDSLZGAP-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=C(CC#N)C=CC=C1
Canonical SMILES
N#CCC=1C=CC=CC1C(=O)O
Other Names for this Substance
- Benzoic acid, 2-(cyanomethyl)-
- o-Toluic acid, α-cyano-
- 2-(Cyanomethyl)benzoic acid
- o-Carboxyphenylacetonitrile
- NSC 60255