ChemSpider 2D Image | 5-[(Methylsulfonyl)carbonyl]-2-pyridinecarboxylic acid | C8H7NO5S

5-[(Methylsulfonyl)carbonyl]-2-pyridinecarboxylic acid

  • Molecular FormulaC8H7NO5S
  • Average mass229.210 Da
  • Monoisotopic mass229.004486 Da
  • ChemSpider ID62001175

More details:






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

2-Pyridinecarboxylic acid, 5-[(methylsulfonyl)carbonyl]- [ACD/Index Name]
5-[(Methylsulfonyl)carbonyl]-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
5-[(Methylsulfonyl)carbonyl]-2-pyridinecarboxylic acid [ACD/IUPAC Name]
Acide 5-[(méthylsulfonyl)carbonyl]-2-pyridinecarboxylique [French] [ACD/IUPAC Name]
1896043-38-1 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 495.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 253.5±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 49.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -3.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 73.0±3.0 dyne/cm
Molar Volume: 147.8±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement