CAS Registry Number: 41172-57-0

Name:

4-​Oxazolecarboxylic acid, 5-​methyl-​, methyl ester

Chemical Formula: C6H7NO3
Exact Mass: 141.04
Molecular Weight: 141.12
m/z: 141.04 (100.0%), 142.05 (6.7%)
Elemental Analysis: C, 51.06; H, 5.00; N, 9.93; O, 34.01

InChI: InChI=1S/C6H7NO3/c1-4-5(6(8)9-2)7-3-10-4/h3H,1-2H3
InChIKey: UMYOVEXLUCPUAU-UHFFFAOYSA-N
Canonical SMILES : CC1=C(N=CO1)C(=O)OC

Specification

98%

1. (1) Hoppe, Inga; Liebigs Annalen der Chemie 1980, (5), P819-20 CAPLUS
2. (2) Doss, Raymond M.; Journal of the American Chemical Society 2006, V128(28), P9074-9079 CAPLUS
3. (3) Davies, James R.; Tetrahedron 2004, V60(18), P3967-3977 CAPLUS
4. (4) Patel, Kanu M.; US 4853027 A 1989 CAPLUS