ChemSpider 2D Image | 2-Methyl-3-(methylsulfonyl)benzoic acid | C9H10O4S

2-Methyl-3-(methylsulfonyl)benzoic acid

  • Molecular FormulaC9H10O4S
  • Average mass214.238 Da
  • Monoisotopic mass214.029984 Da
  • ChemSpider ID24605512

More details:

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

1186663-49-9 [RN]
2-Methyl-3-(methylsulfonyl)benzoesäure [German] [ACD/IUPAC Name]
2-Methyl-3-(methylsulfonyl)benzoic acid [ACD/IUPAC Name]
Acide 2-méthyl-3-(méthylsulfonyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-methyl-3-(methylsulfonyl)- [ACD/Index Name]
[1186663-49-9] [RN]
13682-18-3 [RN]
2-Methyl-3-(methylsulfonyl)benzoicAcid
3-methanesulfonyl-2-methylbenzoic acid
3-Methanesulfonylmethylbenzoic acid
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 456.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.5±3.0 kJ/mol
    Flash Point: 229.9±28.7 °C
    Index of Refraction: 1.552
    Molar Refractivity: 51.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.04
    ACD/LogD (pH 5.5): -0.85
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.84
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 20.3±0.5 10-24cm3
    Surface Tension: 48.4±3.0 dyne/cm
    Molar Volume: 160.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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