ChemSpider 2D Image | 2,6-Dihydroxy-1,1,7-trimethyl-1,2,10,10a-tetrahydro-3,9-phenanthrenedione | C17H18O4

2,6-Dihydroxy-1,1,7-trimethyl-1,2,10,10a-tetrahydro-3,9-phenanthrenedione

  • Molecular FormulaC17H18O4
  • Average mass286.322 Da
  • Monoisotopic mass286.120514 Da
  • ChemSpider ID25039672
  • defined stereocentres - 1 of 2 defined stereocentres


More details:



Featured data source



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

2,6-Dihydroxy-1,1,7-trimethyl-1,2,10,10a-tetrahydro-3,9-phenanthrendion [German] [ACD/IUPAC Name]
2,6-Dihydroxy-1,1,7-trimethyl-1,2,10,10a-tetrahydro-3,9-phenanthrenedione [ACD/IUPAC Name]
2,6-Dihydroxy-1,1,7-triméthyl-1,2,10,10a-tétrahydro-3,9-phénanthrènedione [French] [ACD/IUPAC Name]
3,9-Phenanthrenedione, 1,2,10,10a-tetrahydro-2,6-dihydroxy-1,1,7-trimethyl- [ACD/Index Name]
trigoxyphin G

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 537.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 293.0±26.6 °C
Index of Refraction: 1.630
Molar Refractivity: 76.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 170.80
ACD/KOC (pH 5.5): 1378.42
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 147.68
ACD/KOC (pH 7.4): 1191.79
Polar Surface Area: 75 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 215.2±5.0 cm3

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