CAS Registry Number: 79398-27-9

Name:

3-​Pyridinecarboxylic acid, 1,​6-​dihydro-​4-​hydroxy-​6-​oxo-​, methyl ester
4,​6-​Dihydroxy-​3-​pyridinecarboxylic acid methyl ester; 4,​6-​Dihydroxynicotinic acid methyl ester; Methyl 4,​6-​dihydroxynicotinate; Methyl 4,​6-​dihydroxypyridine-​3-​carboxylate; NSC 112516 

Chemical Formula: C7H7NO4
Exact Mass: 169.04
Molecular Weight: 169.13
m/z: 169.04 (100.0%), 170.04 (7.8%), 171.04 (1.1%)
Elemental Analysis: C, 49.71; H, 4.17; N, 8.28; O, 37.84

InChI: InChI=1S/C7H7NO4/c1-12-7(11)4-3-8-6(10)2-5(4)9/h2-3H,1H3,(H2,8,9,10)
InChIKey: YRIXOKHFULWNHE-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CNC(=O)C=C1O

Specification

98%

1. (1) Zupancic, Silvo; Acta Chimica Slovenica 2008, V55(4), P1009-1018 CAPLUS