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CAS Number: 92933-49-8
5-isobutyl-1H-pyrazole-3-carboxylic acid

Structure

5-isobutyl-1H-pyrazole-3-carboxylic acid
Name: 5-isobutyl-1H-pyrazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 92933498

CAS Registry Number 92933-49-8
Name:
1H-​Pyrazole-​3-​carboxylic acid, 5-​(2-​methylpropyl)​-
5-Isobutyl-1H-pyrazole-3-carboxylic acid

 

Chemical Formula: C8H12N2O2
Exact Mass: 168.09
Molecular Weight: 168.19
m/z: 168.09 (100.0%), 169.09 (9.5%)

 

InChI:InChI=1S/C8H12N2O2/c1-5(2)3-6-4-7(8(11)12)10-9-6/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)

InChI Key:OCAWPZXEVMMJMI-UHFFFAOYSA-N

Canonical SMILES:CC(C)CC1=CC(=NN1)C(=O)O

Specification

98%

References

PCT Int. Appl. (2014), WO 2014025891 A1 20140213.

PCT Int. Appl. (2010), WO 2010129208 A1 20101111.                                 

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