ChemSpider 2D Image | 6-(4-METHANESULFONYLPHENYL)PYRIDIN-3-OL | C12H11NO3S

6-(4-METHANESULFONYLPHENYL)PYRIDIN-3-OL

  • Molecular FormulaC12H11NO3S
  • Average mass249.286 Da
  • Monoisotopic mass249.045959 Da
  • ChemSpider ID28295361

More details:

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

1032825-20-9 [RN]
3-Pyridinol, 6-[4-(methylsulfonyl)phenyl]- [ACD/Index Name]
6-(4-METHANESULFONYLPHENYL)PYRIDIN-3-OL
6-[4-(Methylsulfonyl)phenyl]-3-pyridinol [German] [ACD/IUPAC Name]
6-[4-(Methylsulfonyl)phenyl]-3-pyridinol [ACD/IUPAC Name]
6-[4-(Méthylsulfonyl)phényl]-3-pyridinol [French] [ACD/IUPAC Name]
[1032825-20-9] [RN]
5-HYDROXY-2-(4-METHYLSULFONYLPHENYL)PYRIDINE
6-(4-(Methylsulfonyl)phenyl)pyridin-3-ol
6-(4-methylsulfonylphenyl)pyridin-3-ol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 547.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.7±3.0 kJ/mol
    Flash Point: 284.8±30.1 °C
    Index of Refraction: 1.598
    Molar Refractivity: 64.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.68
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 2.14
    ACD/KOC (pH 5.5): 49.82
    ACD/LogD (pH 7.4): 0.87
    ACD/BCF (pH 7.4): 2.33
    ACD/KOC (pH 7.4): 54.26
    Polar Surface Area: 76 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 52.4±3.0 dyne/cm
    Molar Volume: 188.1±3.0 cm3

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