ChemSpider 2D Image | 6-methanesulfonylpyrazine-2-carboxylic acid | C6H6N2O4S

6-methanesulfonylpyrazine-2-carboxylic acid

  • Molecular FormulaC6H6N2O4S
  • Average mass202.188 Da
  • Monoisotopic mass202.004822 Da
  • ChemSpider ID58179333

More details:

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

1803584-75-9 [RN]
2-Pyrazinecarboxylic acid, 6-(methylsulfonyl)- [ACD/Index Name]
6-(Methylsulfonyl)-2-pyrazincarbonsäure [German] [ACD/IUPAC Name]
6-(Methylsulfonyl)-2-pyrazinecarboxylic acid [ACD/IUPAC Name]
6-methanesulfonylpyrazine-2-carboxylic acid
Acide 6-(méthylsulfonyl)-2-pyrazinecarboxylique [French] [ACD/IUPAC Name]
MFCD28954042

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

Density: 1.6±0.1 g/cm3
Boiling Point: 526.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 272.0±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 42.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -3.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 130.2±3.0 cm3

Click to predict properties on the Chemicalize site


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