CAS Registry Number: 82231-51-4

Name:

1H-​Pyrazole-​3-​carboxylic acid, 4-​methyl-
3-​Pyrazolecarboxylic acid, 4-​methyl- (3CI); Pyrazole-​3(or 5)​-​carboxylic acid, 4-​methyl- (6CI); 3-​Carboxy-​4-​methylpyrazole; 4-​Methyl-​1H-​pyrazole-​3-​carboxylic acid; 4-​Methylpyrazole-​3(or 5)​-​carboxylic acid; 4-​Methylpyrazole-​3-​carboxylic acid 

Deleted CAS Registry Numbers: 1358752-​83-​6

Chemical Formula: C5H6N2O2
Exact Mass: 126.04
Molecular Weight: 126.11
m/z: 126.04 (100.0%), 127.05 (5.6%)
Elemental Analysis: C, 47.62; H, 4.80; N, 22.21; O, 25.37

InChI: InChI=1S/C5H6N2O2/c1-3-2-6-7-4(3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChIKey: FNHVVMJBCILJGA-UHFFFAOYSA-N
Canonical SMILES : CC1=C(NN=C1)C(=O)O

Specification

98%

(1) Cabildo, Pilar; Organic Magnetic Resonance 1984, V22(9), P603-7 CAPLUS
(2) Parameswaran, P. S.; Journal of Natural Products 1997, V60(8), P802-803 CAPLUS