ChemSpider 2D Image | 5-Oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid | C16H12N4O9S2

5-Oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC16H12N4O9S2
  • Average mass468.418 Da
  • Monoisotopic mass468.004578 Da
  • ChemSpider ID21229884

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]- [ACD/Index Name]
251-862-1 [EINECS]
5-Oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4,5-dihydro-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-oxo-1-(4-sulfophényl)-4-[(4-sulfophényl)diazényl]-4,5-dihydro-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
34175-08-1 [RN]
4,5-dihydro-5-oxo-1-(4-sulphophenyl)-4-[(4-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.760
Molar Refractivity: 105.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -7.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 91.0±7.0 dyne/cm
Molar Volume: 256.3±7.0 cm3

Click to predict properties on the Chemicalize site


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