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ChemSpider 2D Image | 4-(Cyanosulfamoyl)-5-methyl-1H-pyrazole-3-carboxylic acid | C6H6N4O4S

4-(Cyanosulfamoyl)-5-methyl-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC6H6N4O4S
  • Average mass230.201 Da
  • Monoisotopic mass230.010971 Da
  • ChemSpider ID52369486

More details:






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

1H-Pyrazole-3-carboxylic acid, 4-[(cyanoamino)sulfonyl]-5-methyl- [ACD/Index Name]
4-(Cyanosulfamoyl)-5-methyl-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
4-(Cyansulfamoyl)-5-methyl-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
Acide 4-(cyanosulfamoyl)-5-méthyl-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 567.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.3±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 46.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -4.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 94.1±3.0 dyne/cm
Molar Volume: 133.8±3.0 cm3

Click to predict properties on the Chemicalize site






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