ChemSpider 2D Image | (7aS)-10-Methoxy-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline | C18H17NO3

(7aS)-10-Methoxy-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline

  • Molecular FormulaC18H17NO3
  • Average mass295.332 Da
  • Monoisotopic mass295.120850 Da
  • ChemSpider ID23282717
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(7aS)-10-Methoxy-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]chinolin [German] [ACD/IUPAC Name]
(7aS)-10-Méthoxy-6,7,7a,8-tétrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoléine [French] [ACD/IUPAC Name]
(7aS)-10-Methoxy-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline [ACD/IUPAC Name]
5H-1,3-Benzodioxolo[6,5,4-de]benzo[g]quinoline, 6,7,7a,8-tetrahydro-10-methoxy-, (7aS)- [ACD/Index Name]
xylopine [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 483.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 193.7±18.2 °C
Index of Refraction: 1.635
Molar Refractivity: 82.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 9.65
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 64.53
ACD/KOC (pH 7.4): 478.57
Polar Surface Area: 40 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 228.9±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement