ChemSpider 2D Image | (4aR,10bS)-1,2,3,4,4a,5,6,10b-Octahydrobenzo[f]quinoline-7,9-diol | C13H17NO2

(4aR,10bS)-1,2,3,4,4a,5,6,10b-Octahydrobenzo[f]quinoline-7,9-diol

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID25039958

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,10bS)-1,2,3,4,4a,5,6,10b-Octahydrobenzo[f]chinolin-7,9-diol [German] [ACD/IUPAC Name]
(4aR,10bS)-1,2,3,4,4a,5,6,10b-Octahydrobenzo[f]quinoléine-7,9-diol [French] [ACD/IUPAC Name]
(4aR,10bS)-1,2,3,4,4a,5,6,10b-Octahydrobenzo[f]quinoline-7,9-diol [ACD/IUPAC Name]
Benzo[f]quinoline-7,9-diol, 1,2,3,4,4a,5,6,10b-octahydro-, (4aR,10bS)- [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: 432.3±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 189.2±13.5 °C
Index of Refraction: 1.601
Molar Refractivity: 62.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 52 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 181.1±3.0 cm3

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