ChemSpider 2D Image | Ethyl 7-(cyanomethyl)-1H-indole-1-carboxylate | C13H12N2O2

Ethyl 7-(cyanomethyl)-1H-indole-1-carboxylate

  • Molecular FormulaC13H12N2O2
  • Average mass228.247 Da
  • Monoisotopic mass228.089874 Da
  • ChemSpider ID21126145

More details:

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

1H-Indole-1-carboxylic acid, 7-(cyanomethyl)-, ethyl ester [ACD/Index Name]
7-(Cyanométhyl)-1H-indole-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 7-(cyanomethyl)-1H-indole-1-carboxylate [ACD/IUPAC Name]
Ethyl-7-(cyanmethyl)-1H-indol-1-carboxylat [German] [ACD/IUPAC 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: 404.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.4±26.5 °C
Index of Refraction: 1.583
Molar Refractivity: 65.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.35
ACD/KOC (pH 5.5): 464.55
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.35
ACD/KOC (pH 7.4): 464.55
Polar Surface Area: 55 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 195.4±7.0 cm3

Click to predict properties on the Chemicalize site


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