ChemSpider 2D Image | 1-{4-Hydroxy-3-[(~2~H_3_)methyloxy]phenyl}ethanone | C9H7D3O3

1-{4-Hydroxy-3-[(2H3)methyloxy]phenyl}ethanone

  • Molecular FormulaC9H7D3O3
  • Average mass169.192 Da
  • Monoisotopic mass169.081818 Da
  • ChemSpider ID48057748

  • Non-standard isotope - Non-standard isotope

More details:

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

1-{4-Hydroxy-3-[(2H3)methyloxy]phenyl}ethanon [German] [ACD/IUPAC Name]
1-{4-Hydroxy-3-[(2H3)methyloxy]phenyl}ethanone [ACD/IUPAC Name]
1-{4-Hydroxy-3-[(2H3)méthyloxy]phényl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-hydroxy-3-(methyl-d3-oxy)phenyl]- [ACD/Index Name]
1-[4-hydroxy-3-(trideuteriomethoxy)phenyl]ethanone
4'-Hydroxy-3'-methoxy-d3-acetophenone
80404-23-5 [RN]
ACETOVANILLONE-D3

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 297.5±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 55.9±3.0 kJ/mol
    Flash Point: 125.5±15.8 °C
    Index of Refraction: 1.538
    Molar Refractivity: 44.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 1.40
    ACD/BCF (pH 5.5): 6.80
    ACD/KOC (pH 5.5): 137.11
    ACD/LogD (pH 7.4): 1.33
    ACD/BCF (pH 7.4): 5.83
    ACD/KOC (pH 7.4): 117.67
    Polar Surface Area: 47 Å2
    Polarizability: 17.8±0.5 10-24cm3
    Surface Tension: 41.6±3.0 dyne/cm
    Molar Volume: 143.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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