ChemSpider 2D Image | 6-(Cyanosulfamoyl)nicotinic acid | C7H5N3O4S

6-(Cyanosulfamoyl)nicotinic acid

  • Molecular FormulaC7H5N3O4S
  • Average mass227.197 Da
  • Monoisotopic mass227.000076 Da
  • ChemSpider ID52369511

More details:

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

3-Pyridinecarboxylic acid, 6-[(cyanoamino)sulfonyl]- [ACD/Index Name]
6-(Cyanosulfamoyl)nicotinic acid [ACD/IUPAC Name]
6-(Cyansulfamoyl)nicotinsäure [German] [ACD/IUPAC Name]
Acide 6-(cyanosulfamoyl)nicotinique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 482.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 245.5±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 47.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -3.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 80.6±3.0 dyne/cm
Molar Volume: 139.2±3.0 cm3

Click to predict properties on the Chemicalize site


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