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CAS Number: 878742-41-7
5-(2-cyanopropan-2-yl)-1-methyl-1H-pyrazole-3-carboxylic acid

Structure

 5-(2-cyanopropan-2-yl)-1-methyl-1H-pyrazole-3-carboxylic acid
Name: 5-(2-cyanopropan-2-yl)-1-methyl-1H-pyrazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 878742417

CAS Registry Number 878742-41-7
Name:
1H-?Pyrazole-?3-?carboxylic acid, 5-?(1-?cyano-?1-?methylethyl)?-?1-?methyl-
5-(1-Cyano-1-methylethyl)-1-methyl-1H-pyrazol-3-carboxylic acid
5-(1-Cyano-1-methylethyl)-1-methyl-1H-pyrazole-3-carboxylic acid

 

Chemical Formula: C9H11N3O2
Exact Mass: 193.09
Molecular Weight: 193.20
m/z: 193.09 (100.0%), 194.09 (9.9%), 194.08 (1.1%)

 

InChI:InChI=1S/C9H11N3O2/c1-9(2,5-10)7-4-6(8(13)14)11-12(7)3/h4H,1-3H3,(H,13,14)

InChI Key:HWANHWRNZYPMMO-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C#N)C1=CC(=NN1C)C(=O)O

Specification

98%
References

PCT Int. Appl. (2006), WO 2006040568 A1 20060420.                                 

PCT Int. Appl. (2006), WO 2006024834 A1 20060309.                                  
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