ChemSpider 2D Image | (9xi,13alpha,14xi)-3-Hydroxyestra-1(10),2,4,7-tetraen-17-one | C18H20O2

(9ξ,13α,14ξ)-3-Hydroxyestra-1(10),2,4,7-tetraen-17-one

  • Molecular FormulaC18H20O2
  • Average mass268.350 Da
  • Monoisotopic mass268.146332 Da
  • ChemSpider ID78076508

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(9ξ,13α,14ξ)-3-Hydroxyestra-1(10),2,4,7-tetraen-17-on [German] [ACD/IUPAC Name]
(9ξ,13α,14ξ)-3-Hydroxyestra-1(10),2,4,7-tetraen-17-one [ACD/IUPAC Name]
(9ξ,13α,14ξ)-3-Hydroxyestra-1(10),2,4,7-tétraén-17-one [French] [ACD/IUPAC Name]
Estra-1(10),2,4,7-tetraen-17-one, 3-hydroxy-, (9ξ,13α,14ξ)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 459.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 195.4±21.3 °C
Index of Refraction: 1.626
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.87
ACD/KOC (pH 5.5): 1425.50
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 178.53
ACD/KOC (pH 7.4): 1422.79
Polar Surface Area: 37 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 218.8±5.0 cm3

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