ChemSpider 2D Image | 4-Hydroxy-1-(3-pyridinyl)-1-(4,4-~2~H_2_)butanone | C9H9D2NO2

4-Hydroxy-1-(3-pyridinyl)-1-(4,4-2H2)butanone

  • Molecular FormulaC9H9D2NO2
  • Average mass167.202 Da
  • Monoisotopic mass167.091537 Da
  • ChemSpider ID23936358

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Butanone-4,4-d2, 4-hydroxy-1-(3-pyridinyl)- [ACD/Index Name]
4-Hydroxy-1-(3-pyridinyl)-1-(4,4-2H2)butanon [German] [ACD/IUPAC Name]
4-Hydroxy-1-(3-pyridinyl)-1-(4,4-2H2)butanone [ACD/IUPAC Name]
4-Hydroxy-1-(3-pyridinyl)-1-(4,4-2H2)butanone [French] [ACD/IUPAC Name]
154603-21-1 [RN]
4,4-dideuterio-4-hydroxy-1-pyridin-3-ylbutan-1-one
4-Hydroxy-1-(3-pyridyl)-1-butanone-4,4-d2
4-Hydroxy-1-(pyridin-3-yl)(4,4-2H2)butan-1-one

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 345.6±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.2±3.0 kJ/mol
    Flash Point: 162.8±22.3 °C
    Index of Refraction: 1.537
    Molar Refractivity: 45.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.01
    ACD/LogD (pH 5.5): 0.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 27.28
    ACD/LogD (pH 7.4): 0.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 27.41
    Polar Surface Area: 50 Å2
    Polarizability: 17.9±0.5 10-24cm3
    Surface Tension: 49.0±3.0 dyne/cm
    Molar Volume: 144.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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