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Search term: QXGUZLAWXYBWSQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-Hydroxy-2-methoxyestra-1,3,5(10),6,8-pentaen-17-one | C19H20O3

3-Hydroxy-2-methoxyestra-1,3,5(10),6,8-pentaen-17-one

  • Molecular FormulaC19H20O3
  • Average mass296.360 Da
  • Monoisotopic mass296.141235 Da
  • ChemSpider ID64882365

More details:






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

3-Hydroxy-2-methoxyestra-1,3,5(10),6,8-pentaen-17-on [German] [ACD/IUPAC Name]
3-Hydroxy-2-methoxyestra-1,3,5(10),6,8-pentaen-17-one [ACD/IUPAC Name]
3-Hydroxy-2-méthoxyestra-1,3,5(10),6,8-pentaén-17-one [French] [ACD/IUPAC Name]
Estra-1,3,5(10),6,8-pentaen-17-one, 3-hydroxy-2-methoxy- [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: 492.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 180.4±22.2 °C
Index of Refraction: 1.642
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 152.19
ACD/KOC (pH 5.5): 1269.84
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.46
ACD/KOC (pH 7.4): 1263.75
Polar Surface Area: 47 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 238.3±3.0 cm3

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