ChemSpider 2D Image | 2-{[3-(Methylsulfonyl)propyl]carbamoyl}cyclopropanecarboxylic acid | C9H15NO5S

2-{[3-(Methylsulfonyl)propyl]carbamoyl}cyclopropanecarboxylic acid

  • Molecular FormulaC9H15NO5S
  • Average mass249.284 Da
  • Monoisotopic mass249.067093 Da
  • ChemSpider ID26449104

More details:

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

2-{[3-(Methylsulfonyl)propyl]carbamoyl}cyclopropancarbonsäure [German] [ACD/IUPAC Name]
2-{[3-(Methylsulfonyl)propyl]carbamoyl}cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide 2-{[3-(méthylsulfonyl)propyl]carbamoyl}cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-[[[3-(methylsulfonyl)propyl]amino]carbonyl]- [ACD/Index Name]
2-[(3-methanesulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 628.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 334.0±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 55.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -3.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 176.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement