ChemSpider 2D Image | 1-(Methylsulfonyl)-3-nitroproline | C6H10N2O6S

1-(Methylsulfonyl)-3-nitroproline

  • Molecular FormulaC6H10N2O6S
  • Average mass238.218 Da
  • Monoisotopic mass238.025955 Da
  • ChemSpider ID111267313

More details:

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

1-(Methylsulfonyl)-3-nitroprolin [German] [ACD/IUPAC Name]
1-(Methylsulfonyl)-3-nitroproline [ACD/IUPAC Name]
1-(Méthylsulfonyl)-3-nitroproline [French] [ACD/IUPAC Name]
Proline, 1-(methylsulfonyl)-3-nitro- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 488.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 249.0±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 48.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -3.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 144.2±5.0 cm3

Click to predict properties on the Chemicalize site


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