CAS Registry Number: 84661-50-7

Name:

4-​Isoxazolecarboxylic acid, 5-​amino-​3-​methyl-
5-​Amino-​3-​methyl-​4-​isoxazolecarboxylic acid 

Chemical Formula: C5H6N2O3
Exact Mass: 142.04
Molecular Weight: 142.11
m/z: 142.04 (100.0%), 143.04 (5.6%)

InChI: InChI=1S/C5H6N2O3/c1-2-3(5(8)9)4(6)10-7-2/h6H2,1H3,(H,8,9)
InChIKey: CNZBKZVKOBKIOR-UHFFFAOYSA-N
Canonical SMILES : CC1=NOC(=C1C(=O)O)N

Specification

98%

1. (1) Davoodnia, A.; Indian Journal of Heterocyclic Chemistry 2008, V17(4), P371-372 CAPLUS
2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
3. (3) Shaw, G.; Journal of the Chemical Society 1954, P665-8 CAPLUS