CAS Registry Number: 14618-77-0

Name:

Propanoic acid, 2-​cyano-​, methyl ester
Propionic acid, 2-​cyano-​, methyl ester (8CI); 2-​Cyanopropionic acid methyl ester; Methyl 2-​cyanopropanoate; Methyl 2-​cyanopropionate; Methyl α-​cyanopropionate; NSC 63190; α-​Cyanopropionic acid methyl ester 

Deleted CAS Registry Numbers: 133889-​01-​7

Chemical Formula: C5H7NO2
Exact Mass: 113.05
Molecular Weight: 113.11
m/z: 113.05 (100.0%), 114.05 (5.6%)

InChI: InChI=1S/C5H7NO2/c1-4(3-6)5(7)8-2/h4H,1-2H3
InChIKey: GWHHQWUYMDWMAY-UHFFFAOYSA-N
Canonical SMILES : CC(C#N)C(=O)OC

Specification

98%

1. (1) Karvonen, A.; Ann. acad. sci. Fennicae 1924, V20(No. 9), P18 pp. CAPLUS
2. (2) Wacker, Oskar; DE 1928438 A 1969 CAPLUS
3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
4. (4) Del'nik, V. B.; Zhurnal Obshchei Khimii 1981, V51(8), P1890-4 CAPLUS
5. (5) Stratford, Eugene S.; Journal of Medicinal Chemistry 1983, V26(10), P1463-9 CAPLUS