ChemSpider 2D Image | 2-(Isopropylsulfonyl)propanoic acid | C6H12O4S

2-(Isopropylsulfonyl)propanoic acid

  • Molecular FormulaC6H12O4S
  • Average mass180.222 Da
  • Monoisotopic mass180.045624 Da
  • ChemSpider ID22107475

More details:

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

2-(Isopropylsulfonyl)propanoic acid [ACD/IUPAC Name]
2-(Isopropylsulfonyl)propansäure [German] [ACD/IUPAC Name]
Acide 2-(isopropylsulfonyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[(1-methylethyl)sulfonyl]- [ACD/Index Name]
2-(propane-2-sulfonyl)propanoic acid
873975-37-2 [RN]
MFCD09930984 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 376.5±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 68.5±6.0 kJ/mol
    Flash Point: 181.5±23.2 °C
    Index of Refraction: 1.471
    Molar Refractivity: 40.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.00
    ACD/LogD (pH 5.5): -2.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.68
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 16.0±0.5 10-24cm3
    Surface Tension: 43.9±3.0 dyne/cm
    Molar Volume: 144.0±3.0 cm3

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