4-[3-(ethoxycarbonyl)-5-hydroxy-1H-pyrazol-1-yl]benzenesulfonic acid

Base Information

• Chemical Name: 4-[3-(ethoxycarbonyl)-5-hydroxy-1H-pyrazol-1-yl]benzenesulfonic acid
• CAS No.: 6402-06-8
• Molecular Formula: C12H12 N2 O6 S
• Molecular Weight: 312.29848
• Hs Code.: 2933199090
• UNII: 01I9ZBY9IR
• Mol file: 6402-06-8.mol

Synonyms:SCHEMBL9324636;STK378978;AKOS005448967;4-[3-(ethoxycarbonyl)-5-hydroxy-1H-pyrazol-1-yl]benzenesulfonic acid;1H-PYRAZOLE-3-CARBOXYLIC ACID, 5-HYDROXY-1-(4-SULFOPHENYL)-, 3-ETHYL ESTER;2-PYRAZOLINE-3-CARBOXYLIC ACID, 5-OXO-1-(P-SULFOPHENYL)-, ETHYL ESTER

Chemical Property of 4-[3-(ethoxycarbonyl)-5-hydroxy-1H-pyrazol-1-yl]benzenesulfonic acid

Chemical Property:

• PKA: -0.49±0.50(Predicted)
• PSA: 121.72000
• Density: 1.54g/cm³
• LogP: 1.17050
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 312.04160728
• Heavy Atom Count: 21
• Complexity: 557

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O