ChemSpider 2D Image | 5-[4-(Methylsulfonyl)phenyl]-1,2-oxazole-3-carboxylic acid | C11H9NO5S

5-[4-(Methylsulfonyl)phenyl]-1,2-oxazole-3-carboxylic acid

  • Molecular FormulaC11H9NO5S
  • Average mass267.258 Da
  • Monoisotopic mass267.020142 Da
  • ChemSpider ID21787874

More details:

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

3-Isoxazolecarboxylic acid, 5-[4-(methylsulfonyl)phenyl]- [ACD/Index Name]
5-[4-(Methylsulfonyl)phenyl]-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-[4-(Methylsulfonyl)phenyl]-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-[4-(méthylsulfonyl)phényl]-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
1082821-82-6 [RN]
5-(4-methanesulfonylphenyl)-1,2-oxazole-3-carboxylic acid
5-[4-(methylsulfonyl)phenyl]isoxazole-3-carboxylic acid
MFCD07377288
NS-04229

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 587.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 92.2±3.0 kJ/mol
    Flash Point: 308.9±30.1 °C
    Index of Refraction: 1.579
    Molar Refractivity: 61.5±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.93
    ACD/LogD (pH 5.5): -1.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 106 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 56.2±3.0 dyne/cm
    Molar Volume: 185.0±3.0 cm3

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