ChemSpider 2D Image | rel-(11R,12R)-11,12-Dihydrodibenzo[def,p]chrysene-11,12-diol | C24H16O2

rel-(11R,12R)-11,12-Dihydrodibenzo[def,p]chrysene-11,12-diol

  • Molecular FormulaC24H16O2
  • Average mass336.383 Da
  • Monoisotopic mass336.115021 Da
  • ChemSpider ID21248222

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(11S,12S)-11,12-Dihydronaphtho[1,2,3,4-pqr]tetraphen-11,12-diol [German] [ACD/IUPAC Name]
(11S,12S)-11,12-Dihydronaphtho[1,2,3,4-pqr]tetraphene-11,12-diol [ACD/IUPAC Name]
(11S,12S)-11,12-Dihydronaphto[1,2,3,4-pqr]tétraphène-11,12-diol [French] [ACD/IUPAC Name]
153857-27-3 [RN]
Dibenzo[def,p]chrysene-11,12-diol, 11,12-dihydro-, (11S,12S)- [ACD/Index Name]
rel-(11R,12R)-11,12-Dihydrodibenzo[def,p]chrysene-11,12-diol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 631.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 299.0±26.1 °C
Index of Refraction: 1.934
Molar Refractivity: 109.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5449.22
ACD/KOC (pH 5.5): 16446.01
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5449.21
ACD/KOC (pH 7.4): 16445.98
Polar Surface Area: 40 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 78.2±3.0 dyne/cm
Molar Volume: 230.2±3.0 cm3

Click to predict properties on the Chemicalize site


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