ChemSpider 2D Image | 3-Methoxy(2-~2~H)estra-1(10),2,4-trien-17-one | C19H23DO2

3-Methoxy(2-2H)estra-1(10),2,4-trien-17-one

  • Molecular FormulaC19H23DO2
  • Average mass285.399 Da
  • Monoisotopic mass285.183899 Da
  • ChemSpider ID77006292

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3-Methoxy(2-2H)estra-1(10),2,4-trien-17-on [German] [ACD/IUPAC Name]
3-Methoxy(2-2H)estra-1(10),2,4-trien-17-one [ACD/IUPAC Name]
3-Méthoxy(2-2H)estra-1(10),2,4-trién-17-one [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one-2-d, 3-methoxy- [ACD/Index Name]
2122799-87-3 [RN]
MFCD31699933

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 427.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.2±3.0 kJ/mol
    Flash Point: 183.6±22.3 °C
    Index of Refraction: 1.556
    Molar Refractivity: 82.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.34
    ACD/LogD (pH 5.5): 3.83
    ACD/BCF (pH 5.5): 475.40
    ACD/KOC (pH 5.5): 2869.75
    ACD/LogD (pH 7.4): 3.83
    ACD/BCF (pH 7.4): 475.40
    ACD/KOC (pH 7.4): 2869.75
    Polar Surface Area: 26 Å2
    Polarizability: 32.8±0.5 10-24cm3
    Surface Tension: 40.0±3.0 dyne/cm
    Molar Volume: 257.7±3.0 cm3

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