ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-yl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile | C21H14N2O3

4-(1,3-Benzodioxol-5-yl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile

  • Molecular FormulaC21H14N2O3
  • Average mass342.348 Da
  • Monoisotopic mass342.100433 Da
  • ChemSpider ID30656984

More details:

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

4-(1,3-Benzodioxol-5-yl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]chinolin-3-carbonitril [German] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-2-oxo-1,2,5,6-tétrahydrobenzo[h]quinoléine-3-carbonitrile [French] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile [ACD/IUPAC Name]
Benzo[h]quinoline-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-1,2,5,6-tetrahydro-2-oxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 653.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.8±31.5 °C
Index of Refraction: 1.719
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 71 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 236.0±5.0 cm3

Click to predict properties on the Chemicalize site


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