ChemSpider 2D Image | 3-METHYLSULFONYLBICYCLO[1.1.1]PENTANE-1-CARBOXYLIC ACID | C7H10O4S

3-METHYLSULFONYLBICYCLO[1.1.1]PENTANE-1-CARBOXYLIC ACID

  • Molecular FormulaC7H10O4S
  • Average mass190.217 Da
  • Monoisotopic mass190.029984 Da
  • ChemSpider ID71046888

More details:

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

1886967-73-2 [RN]
3-(Methylsulfonyl)bicyclo[1.1.1]pentan-1-carbonsäure [German] [ACD/IUPAC Name]
3-(Methylsulfonyl)bicyclo[1.1.1]pentane-1-carboxylic acid [ACD/IUPAC Name]
3-METHYLSULFONYLBICYCLO[1.1.1]PENTANE-1-CARBOXYLIC ACID
Acide 3-(méthylsulfonyl)bicyclo[1.1.1]pentane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(methylsulfonyl)- [ACD/Index Name]
3-methanesulfonylbicyclo[1.1.1]pentane-1-carboxylic acid
MFCD30803688

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 438.9±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.3±6.0 kJ/mol
    Flash Point: 219.2±28.4 °C
    Index of Refraction: 1.581
    Molar Refractivity: 40.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.91
    ACD/LogD (pH 5.5): -2.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 16.2±0.5 10-24cm3
    Surface Tension: 63.3±5.0 dyne/cm
    Molar Volume: 122.5±5.0 cm3

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