1H-Pyrazole-3-carboxylic acid, 1-(4-amino-2-sulfophenyl)-4,5-dihydro-5-oxo-

Base Information

• Chemical Name: 1H-Pyrazole-3-carboxylic acid, 1-(4-amino-2-sulfophenyl)-4,5-dihydro-5-oxo-
• CAS No.: 70616-71-6
• Molecular Formula: C10H9 N3 O6 S
• Molecular Weight: 299.25996
• European Community (EC) Number: 274-699-8
• DSSTox Substance ID: DTXSID4072077
• Nikkaji Number: J288.738J
• Wikidata: Q81999971
• Mol file: 70616-71-6.mol

Synonyms:70616-71-6;1-(4-Amino-2-sulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid;1H-Pyrazole-3-carboxylic acid, 1-(4-amino-2-sulfophenyl)-4,5-dihydro-5-oxo-;EINECS 274-699-8;1-(4-Amino-2-sulfophenyl)-3-carboxy-5-pyrazolone;DTXSID4072077;1-(4-AMINO-2-SULFOPHENYL)-4,5-DIHYDRO-5-OXO-1H-PYRAZOLE-3-CARBOXYLIC ACID

Chemical Property of 1H-Pyrazole-3-carboxylic acid, 1-(4-amino-2-sulfophenyl)-4,5-dihydro-5-oxo-

Chemical Property:

• PSA: 158.74000
• Density: 1.88g/cm³
• LogP: 0.85540
• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 299.02120619
• Heavy Atom Count: 20
• Complexity: 566

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=NN(C1=O)C2=C(C=C(C=C2)N)S(=O)(=O)O)C(=O)O

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