ChemSpider 2D Image | Meconin-d3 | C10H7D3O4

Meconin-d3

  • Molecular FormulaC10H7D3O4
  • Average mass197.202 Da
  • Monoisotopic mass197.076736 Da
  • ChemSpider ID29341907

  • Non-standard isotope - Non-standard isotope

More details:

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

1(3H)-Isobenzofuranone, 6-methoxy-7-(methyl-d3-oxy)- [ACD/Index Name]
29809-15-2 [RN]
6,7-dimethoxy-1(3H)-isobenzofuranone-d3
6-Methoxy-7-[(2H3)methyloxy]-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
6-Methoxy-7-[(2H3)methyloxy]-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
6-Méthoxy-7-[(2H3)méthyloxy]-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
Meconin-d3
6-methoxy-7-(trideuteriomethoxy)-3H-2-benzofuran-1-one
Meconin-d3|6,7-dimethoxy-1(3H)-isobenzofuranone-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: 404.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.6±3.0 kJ/mol
    Flash Point: 185.1±28.8 °C
    Index of Refraction: 1.548
    Molar Refractivity: 48.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.63
    ACD/LogD (pH 5.5): 1.07
    ACD/BCF (pH 5.5): 3.85
    ACD/KOC (pH 5.5): 91.33
    ACD/LogD (pH 7.4): 1.07
    ACD/BCF (pH 7.4): 3.85
    ACD/KOC (pH 7.4): 91.33
    Polar Surface Area: 45 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 43.3±3.0 dyne/cm
    Molar Volume: 154.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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