ChemSpider 2D Image | (9aR,12aR)-11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-d][1,3]oxazole | C24H17NO3

(9aR,12aR)-11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-d][1,3]oxazole

  • Molecular FormulaC24H17NO3
  • Average mass367.397 Da
  • Monoisotopic mass367.120850 Da
  • ChemSpider ID21181755

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9aR,12aR)-11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-d][1,3]oxazol [German] [ACD/IUPAC Name]
(9aR,12aR)-11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-d][1,3]oxazole [ACD/IUPAC Name]
(9aR,12aR)-11-Méthyl-12a-phényl-9a,12a-dihydrophénanthro[9',10':5,6][1,4]dioxino[2,3-d][1,3]oxazole [French] [ACD/IUPAC Name]
Phenanthro[9',10':5,6][1,4]dioxino[2,3-d]oxazole, 9a,12a-dihydro-11-methyl-12a-phenyl-, (9aR,12aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 237.0±22.6 °C
Index of Refraction: 1.688
Molar Refractivity: 105.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 1994.62
ACD/KOC (pH 5.5): 7984.00
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2017.36
ACD/KOC (pH 7.4): 8075.00
Polar Surface Area: 40 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 276.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement