ChemSpider 2D Image | 1-Hydroxy-3-(4-methylbenzoyl)-1H-indole-5,6-dicarbonitrile | C18H11N3O2

1-Hydroxy-3-(4-methylbenzoyl)-1H-indole-5,6-dicarbonitrile

  • Molecular FormulaC18H11N3O2
  • Average mass301.299 Da
  • Monoisotopic mass301.085114 Da
  • ChemSpider ID28635130

More details:

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

1H-Indole-5,6-dicarbonitrile, 1-hydroxy-3-(4-methylbenzoyl)- [ACD/Index Name]
1-Hydroxy-3-(4-methylbenzoyl)-1H-indol-5,6-dicarbonitril [German] [ACD/IUPAC Name]
1-Hydroxy-3-(4-methylbenzoyl)-1H-indole-5,6-dicarbonitrile [ACD/IUPAC Name]
1-Hydroxy-3-(4-méthylbenzoyl)-1H-indole-5,6-dicarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 340.2±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.62
ACD/KOC (pH 5.5): 502.04
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.60
ACD/KOC (pH 7.4): 501.69
Polar Surface Area: 90 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 234.9±7.0 cm3

Click to predict properties on the Chemicalize site


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