ChemSpider 2D Image | 2,3,4-Trihydroxyestra-1,3,5(10)-trien-17-one | C18H22O4

2,3,4-Trihydroxyestra-1,3,5(10)-trien-17-one

  • Molecular FormulaC18H22O4
  • Average mass302.365 Da
  • Monoisotopic mass302.151794 Da
  • ChemSpider ID26504523

More details:






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

2,3,4-Trihydroxyestra-1,3,5(10)-trien-17-on [German] [ACD/IUPAC Name]
2,3,4-Trihydroxyestra-1,3,5(10)-trien-17-one [ACD/IUPAC Name]
2,3,4-Trihydroxyestra-1,3,5(10)-trién-17-one [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-one, 2,3,4-trihydroxy- [ACD/Index Name]
5425-33-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 510.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 276.6±26.6 °C
Index of Refraction: 1.633
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.70
ACD/KOC (pH 5.5): 502.70
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.31
ACD/KOC (pH 7.4): 498.02
Polar Surface Area: 78 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 229.0±3.0 cm3

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