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CAS Number: 303180-11-2
1H-pyrazole-3,5-dicarboxylic acid hydrate

Structure

1H-pyrazole-3,5-dicarboxylic acid hydrate
Name: 1H-pyrazole-3,5-dicarboxylic acid hydrate
Synonyms:
General Information
Product Number: 303180112

CAS Registry Number 303180-11-2
(Component: 3112-31-0)
Name:
1H-​Pyrazole-​3,​5-​dicarboxylic acid, hydrate (1:1)
1H-Pyrazole-3,5-dicarboxylic acid, monohydrate (9CI)
3,5-Pyrazoledicarboxylic acid monohydrate

 

Chemical Formula: C5H6N2O5
Exact Mass: 174.03
Molecular Weight: 174.11
m/z: 174.03 (100.0%), 175.03 (5.7%), 176.03 (1.2%)

 

InChI:InChI=1S/C5H4N2O4.H2O/c8-4(9)2-1-3(5(10)11)7-6-2;/h1H,(H,6,7)(H,8,9)(H,10,11);1H2

InChI Key:GLINCONFUZIMCN-UHFFFAOYSA-N

Canonical SMILES:C1=C(NN=C1C(=O)O)C(=O)O.O

Specification

98%

References

PCT Int. Appl. (2011), WO 2011051540 A1 20110505.                                  

Journal of the American Chemical Society (2010), 132(44), 15553-15555.

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