ChemSpider 2D Image | 2-Methyl-2-propanyl 3-(~2~H)formyl-1H-indole-1-carboxylate | C14H14DNO3

2-Methyl-2-propanyl 3-(2H)formyl-1H-indole-1-carboxylate

  • Molecular FormulaC14H14DNO3
  • Average mass246.280 Da
  • Monoisotopic mass246.111465 Da
  • ChemSpider ID74811328

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Indole-1-carboxylic acid, 3-(formyl-d)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(2H)formyl-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(2H)formyl-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
3-(2H)Formyl-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 380.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 183.6±25.7 °C
Index of Refraction: 1.553
Molar Refractivity: 69.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.13
ACD/KOC (pH 5.5): 851.87
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.13
ACD/KOC (pH 7.4): 851.87
Polar Surface Area: 48 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 215.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement