ChemSpider 2D Image | COUMARIN-D4 | C9H2D4O2

COUMARIN-D4

  • Molecular FormulaC9H2D4O2
  • Average mass150.167 Da
  • Monoisotopic mass150.061890 Da
  • ChemSpider ID24532352

  • Non-standard isotope - Non-standard isotope

More details:

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

(5,6,7,8-2H4)-2H-Chromen-2-on [German] [ACD/IUPAC Name]
(5,6,7,8-2H4)-2H-Chromen-2-one [ACD/IUPAC Name]
(5,6,7,8-2H4)-2H-Chromén-2-one [French] [ACD/IUPAC Name]
185056-83-1 [RN]
2H-1-Benzopyran-2-one-5,6,7,8-d4 [ACD/Index Name]
COUMARIN-D4
(5,6,7,8-2H4)-2H-1-Benzopyran-2-one
1-Benzopyran-2(2H)-one
2H-1-Benzopyran-2-one [ACD/Index Name]
5,6,7,8-tetradeuteriochromen-2-one
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 298.0±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.8±3.0 kJ/mol
    Flash Point: 118.3±16.1 °C
    Index of Refraction: 1.595
    Molar Refractivity: 39.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 1.85
    ACD/BCF (pH 5.5): 15.06
    ACD/KOC (pH 5.5): 242.45
    ACD/LogD (pH 7.4): 1.85
    ACD/BCF (pH 7.4): 15.06
    ACD/KOC (pH 7.4): 242.45
    Polar Surface Area: 26 Å2
    Polarizability: 15.8±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 117.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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