CAS Registry Number: 116153-81-2

Name:

1H-​Pyrazole-​3-​carboxylic acid, 5-​(2-​furanyl)​-
Pyrazole-​3(or 5)​-​carboxylic acid, 5(or 3)​-​(2-​furyl)​- (6CI); 5-​(2-​Furyl)​-​1H-​pyrazole-​3-​carboxylic acid; 5-​(Furan-​2-​yl)​-​1H-​pyrazole-​3-​carboxylic acid 

Deleted CAS Registry Numbers: 299166-​68-​0, 887408-​75-​5, 890006-​97-​0

Chemical Formula: C8H6N2O3
Exact Mass: 178.04
Molecular Weight: 178.14
m/z: 178.04 (100.0%), 179.04 (8.8%), 180.04 (1.0%)

InChI: InChI=1S/C8H6N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12)
InChIKey: GKPSFQIKCROJOB-UHFFFAOYSA-N
Canonical SMILES : C1=COC(=C1)C2=CC(=NN2)C(=O)O

Specification

98%

1. (1) Musante, Carlo; Gazzetta Chimica Italiana 1958, V88, P879-98 CAPLUS