ChemSpider 2D Image | (6aS)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | C18H19NO3

(6aS)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

  • Molecular FormulaC18H19NO3
  • Average mass297.348 Da
  • Monoisotopic mass297.136505 Da
  • ChemSpider ID23146439

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6aS)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]chinolin-10,11-diol [German] [ACD/IUPAC Name]
(6aS)-2-Méthoxy-6-méthyl-5,6,6a,7-tétrahydro-4H-dibenzo[de,g]quinoléine-10,11-diol [French] [ACD/IUPAC Name]
(6aS)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol [ACD/IUPAC Name]
4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-, (6aS)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL301761/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 511.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 262.9±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 13.38
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 52.58
ACD/KOC (pH 7.4): 483.86
Polar Surface Area: 53 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 229.6±3.0 cm3

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