CAS Registry Number: 34253-01-5

Name:

5-​Pyrimidinecarboxylic acid, methyl ester
5-​Methoxycarbonylpyrim​idine; Methyl pyrimidine-​5-​carboxylate; NSC 77421 

Chemical Formula: C6H6N2O2
Exact Mass: 138.04
Molecular Weight: 138.12
m/z: 138.04 (100.0%), 139.05 (6.6%)
Elemental Analysis: C, 52.17; H, 4.38; N, 20.28; O, 23.17

InChI: InChI=1S/C6H6N2O2/c1-10-6(9)5-2-7-4-8-3-5/h2-4H,1H3
InChIKey: XMVNUAHPLDBEJH-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CN=CN=C1

Specification

98%

1. (1) Boarland, M. P. V.; Journal of the Chemical Society 1951, P1218-21 CAPLUS
2. (2) Robba, Max; Ann. Chim. (Paris) 1960, V5, P351-79 CAPLUS