ChemSpider 2D Image | 4-(1H-Indol-3-yl)(2,2-~2~H_2_)butanoic acid | C12H11D2NO2

4-(1H-Indol-3-yl)(2,2-2H2)butanoic acid

  • Molecular FormulaC12H11D2NO2
  • Average mass205.249 Da
  • Monoisotopic mass205.107178 Da
  • ChemSpider ID60498100

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Indole-3-butanoic-α,α-d2 acid [ACD/Index Name]
4-(1H-Indol-3-yl)(2,2-2H2)butanoic acid [ACD/IUPAC Name]
4-(1H-Indol-3-yl)(2,2-2H2)butansäure [German] [ACD/IUPAC Name]
Acide 4-(1H-indol-3-yl)(2,2-2H2)butanoïque [French] [ACD/IUPAC Name]
Indole-3-butyric-2,2-d2 Acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 426.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 211.8±21.8 °C
Index of Refraction: 1.646
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 6.23
ACD/KOC (pH 5.5): 79.96
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 53 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 162.3±3.0 cm3

Click to predict properties on the Chemicalize site


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