ChemSpider 2D Image | (9beta,14beta)-3-Hydroxyestra-1(10),2,4-trien-17-one | C18H22O2

(9β,14β)-3-Hydroxyestra-1(10),2,4-trien-17-one

  • Molecular FormulaC18H22O2
  • Average mass270.366 Da
  • Monoisotopic mass270.161987 Da
  • ChemSpider ID78315475

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(9β,14β)-3-Hydroxyestra-1(10),2,4-trien-17-on [German] [ACD/IUPAC Name]
(9β,14β)-3-Hydroxyestra-1(10),2,4-trien-17-one [ACD/IUPAC Name]
(9β,14β)-3-Hydroxyestra-1(10),2,4-trién-17-one [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one, 3-hydroxy-, (9β,14β)- [ACD/Index Name]
1437468-92-2 [RN]
528-21-2 [RN]
53-16-7 [RN]
Estrone [INN] [JAN] [USP] [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 445.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 189.7±21.3 °C
Index of Refraction: 1.587
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.53
ACD/KOC (pH 5.5): 1634.43
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.23
ACD/KOC (pH 7.4): 1632.15
Polar Surface Area: 37 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 232.1±3.0 cm3

Click to predict properties on the Chemicalize site


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