Benzoic acid, 3-cyano-, methyl ester
CAS Registry Number®
13531-48-1
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CAS Name
Benzoic acid, 3-cyano-, methyl esterMolecular Formula
C9H7NO2Molecular Mass
161.16Cite this Page
Benzoic acid, 3-cyano-, methyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13531-48-1 (retrieved ) (CAS RN: 13531-48-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
38-40 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3
InChIKey
InChIKey=XPBHWSMZTSSEJE-UHFFFAOYSA-N
SMILES
C(OC)(=O)C1=CC(C#N)=CC=C1
Canonical SMILES
N#CC1=CC=CC(=C1)C(=O)OC
Other Names for this Substance
- Benzoic acid, 3-cyano-, methyl ester
- Benzoic acid, m-cyano-, methyl ester
- Methyl m-cyanobenzoate
- Methyl 3-cyanobenzoate
- 3-Cyanobenzoic acid methyl ester
