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Search term: OIOQBNDENVAFEU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Cyanatoestra-1,3,5(10)-trien-17-one | C19H21NO2

3-Cyanatoestra-1,3,5(10)-trien-17-one

  • Molecular FormulaC19H21NO2
  • Average mass295.375 Da
  • Monoisotopic mass295.157227 Da
  • ChemSpider ID26377079

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

17-Oxoestra-1(10),2,4-trien-3-yl cyanate [ACD/IUPAC Name]
17-Oxoestra-1(10),2,4-trien-3-ylcyanat [German] [ACD/IUPAC Name]
23623-36-1 [RN]
3-Cyanatoestra-1,3,5(10)-trien-17-one
Cyanate de 17-oxoestra-1(10),2,4-trién-3-yle [French] [ACD/IUPAC Name]
Cyanic acid, 17-oxoestra-1(10),2,4-trien-3-yl ester [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: 438.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 191.6±21.7 °C
Index of Refraction: 1.573
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 483.06
ACD/KOC (pH 5.5): 2902.77
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 483.06
ACD/KOC (pH 7.4): 2902.77
Polar Surface Area: 50 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 251.1±3.0 cm3

Click to predict properties on the Chemicalize site


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