ChemSpider 2D Image | (1aS,9S,10R,10aR)-10,10a-Dihydro-9H-fluorantheno[1,10b-b]oxirene-9,10-diol | C16H12O3

(1aS,9S,10R,10aR)-10,10a-Dihydro-9H-fluorantheno[1,10b-b]oxirene-9,10-diol

  • Molecular FormulaC16H12O3
  • Average mass252.265 Da
  • Monoisotopic mass252.078644 Da
  • ChemSpider ID21782164

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

anti-1,2,3-Trihydrofluoranthene-2,3-diol-1,10b-epoxide
(1aS,9S,10R,10aR)-10,10a-Dihydro-9H-fluorantheno[1,10b-b]oxiren-9,10-diol [German] [ACD/IUPAC Name]
(1aS,9S,10R,10aR)-10,10a-Dihydro-9H-fluorantheno[1,10b-b]oxirene-9,10-diol [ACD/IUPAC Name]
(1aS,9S,10R,10aR)-10,10a-Dihydro-9H-fluoranthéno[1,10b-b]oxirène-9,10-diol [French] [ACD/IUPAC Name]
9H-Fluorantheno[1,10b-b]oxirene-9,10-diol, 10,10a-dihydro-, (1aS,9S,10R,10aR)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 515.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 265.2±30.1 °C
Index of Refraction: 1.792
Molar Refractivity: 68.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 53.19
ACD/KOC (pH 5.5): 598.32
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 53.19
ACD/KOC (pH 7.4): 598.32
Polar Surface Area: 53 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 83.3±5.0 dyne/cm
Molar Volume: 161.7±5.0 cm3

Click to predict properties on the Chemicalize site


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