ChemSpider 2D Image | {4-Hydroxy-3-[(~2~H_3_)methyloxy]phenyl}acetic acid | C9H7D3O4

{4-Hydroxy-3-[(2H3)methyloxy]phenyl}acetic acid

  • Molecular FormulaC9H7D3O4
  • Average mass185.192 Da
  • Monoisotopic mass185.076736 Da
  • ChemSpider ID23936249

  • Non-standard isotope - Non-standard isotope

More details:

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

{4-Hydroxy-3-[(2H3)methyloxy]phenyl}acetic acid [ACD/IUPAC Name]
{4-Hydroxy-3-[(2H3)methyloxy]phenyl}essigsäure [German] [ACD/IUPAC Name]
Acide {4-hydroxy-3-[(2H3)méthyloxy]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-hydroxy-3-(methyl-d3-oxy)- [ACD/Index Name]
2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]acetic acid
74495-71-9 [RN]
HOMOVANILLIC ACID-D3

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 368.7±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±3.0 kJ/mol
    Flash Point: 151.9±17.2 °C
    Index of Refraction: 1.573
    Molar Refractivity: 45.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.47
    ACD/LogD (pH 5.5): -0.40
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.17
    ACD/LogD (pH 7.4): -2.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 53.8±3.0 dyne/cm
    Molar Volume: 139.3±3.0 cm3

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