CAS Registry Number: 84199-98-4

Name:

3-​Pyridinepropanoic acid, methyl ester
3-​Pyridinepropionic acid methyl ester; Methyl 3-​(3-​pyridinyl)​propanoate; Methyl 3-​(3-​pyridyl)​propanoate; Methyl 3-​(3-​pyridyl)​propionate; Methyl 3-​pyridinepropanoate; Methyl 3-​pyridinepropionate 

Chemical Formula: C9H11NO2
Exact Mass: 165.08
Molecular Weight: 165.19
m/z: 165.08 (100.0%), 166.08 (10.2%)
Elemental Analysis: C, 65.44; H, 6.71; N, 8.48; O, 19.37

InChI: InChI=1S/C9H11NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h2-3,6-7H,4-5H2,1H3
InChIKey: FQRRQPZYIYAPAV-UHFFFAOYSA-N
Canonical SMILES : COC(=O)CCC1=CN=CC=C1

Specification

98%

1. (1) Dornow, Alfred; Chemische Berichte 1947, V80, P505-9 CAPLUS
2. (2) Passarotti, C.; Bollettino Chimico Farmaceutico 1990, V129(5), P195-8 CAPLUS
3. (3) Geoghegan, Kimberly; Journal of Organic Chemistry 2011, V76(7), P2187-2194 CAPLUS