CAS Registry Number: 689251-97-6

Name:

2-​Propenoic acid, 3-​(1-​methyl-​1H-​pyrazol-​4-​yl)​-​, (2E)​-
(2E)​-​3-​(1-​Methyl-​1H-​pyrazol-​4-​yl)​-​2-​propenoic acid 

Chemical Formula: C7H8N2O2
Exact Mass: 152.06
Molecular Weight: 152.15
m/z: 152.06 (100.0%), 153.06 (8.5%)

InChI: InChI=1S/C7H8N2O2/c1-9-5-6(4-8-9)2-3-7(10)11/h2-5H,1H3,(H,10,11)/b3-2+
InChIKey: PTIQETSIDLDEMZ-NSCUHMNNSA-N
Canonical SMILES : CN1C=C(C=N1)C=CC(=O)O
Isomeric SMILES: CN1C=C(C=N1)/C=C/C(=O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014085607 A1 20140605. 

PCT Int. Appl. (2013), WO 2013093842 A1 20130627.