3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic acid
• CAS No.: 478968-51-3
• Molecular Formula: C4H4N2O3
• Molecular Weight: 128.08616
• ChEMBL ID: CHEMBL67480
• DSSTox Substance ID: DTXSID101241000
• Mol file: 478968-51-3.mol

Synonyms:3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic acid;478968-51-3;3-Hydroxy-1H-pyrazole-4-carboxylic acid;3-oxo-1,2-dihydropyrazole-4-carboxylic acid;CHEMBL67480;SCHEMBL2147013;UZVAVNYJJAUYRH-UHFFFAOYSA-N;DTXSID101241000;AKOS006385982;AKOS017408879;5-hydroxy-1H-pyrazole-4-carboxylic acid;DA-05557;CS-0372649;G74027;3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylicacid;2,3-dihydro-3-oxo-1h-pyrazole-4-carboxylic acid

Chemical Property of 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic acid

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 128.02219199
• Heavy Atom Count: 9
• Complexity: 196

Purity/Quality:

99.0% ^*data from raw suppliers

3-Oxo-2,3-dihydro-1H-pyrazole-4-carboxylicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=O)NN1)C(=O)O

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