4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid

Base Information

• Chemical Name: 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid
• CAS No.: 71872-96-3
• Molecular Formula: C11H10 N2 O6 S
• Molecular Weight: 298.2719
• European Community (EC) Number: 276-105-2
• DSSTox Substance ID: DTXSID30992580
• Nikkaji Number: J318.788H
• Mol file: 71872-96-3.mol

Synonyms:71872-96-3;4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid;EINECS 276-105-2;DTXSID30992580;[5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-3-yl]acetic acid;4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-3-ACETIC ACID

Chemical Property of 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid

Chemical Property:

• PSA: 132.72000
• Density: 1.67g/cm³
• LogP: 1.08210
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 298.02595722
• Heavy Atom Count: 20
• Complexity: 542

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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