ChemSpider 2D Image | 1-[(Methylsulfonyl)methyl]cyclopropanecarboxylic acid | C6H10O4S

1-[(Methylsulfonyl)methyl]cyclopropanecarboxylic acid

  • Molecular FormulaC6H10O4S
  • Average mass178.206 Da
  • Monoisotopic mass178.029984 Da
  • ChemSpider ID35499905

More details:

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

1-[(Methylsulfonyl)methyl]cyclopropancarbonsäure [German] [ACD/IUPAC Name]
1-[(Methylsulfonyl)methyl]cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide 1-[(méthylsulfonyl)méthyl]cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 1-[(methylsulfonyl)methyl]- [ACD/Index Name]
1-((methylsulfonyl)methyl)cyclopropanecarboxylic acid
1-(methanesulfonylmethyl)cyclopropane-1-carboxylic acid
1-(methylsulfonylmethyl)cyclopropane-1-carboxylic acid
1710293-51-8 [RN]
1-Methanesulfonylmethyl-cyclopropanecarboxylic acid
AKOS024058413
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 425.7±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.6±6.0 kJ/mol
    Flash Point: 211.3±21.2 °C
    Index of Refraction: 1.537
    Molar Refractivity: 38.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.25
    ACD/LogD (pH 5.5): -2.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 15.2±0.5 10-24cm3
    Surface Tension: 58.5±3.0 dyne/cm
    Molar Volume: 122.5±3.0 cm3

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