ChemSpider 2D Image | 3-[(2,4,5,6,7-~2~H_5_)-1H-Indol-3-yl]-2-oxopropanoic acid | C11H4D5NO3

3-[(2,4,5,6,7-2H5)-1H-Indol-3-yl]-2-oxopropanoic acid

  • Molecular FormulaC11H4D5NO3
  • Average mass208.225 Da
  • Monoisotopic mass208.089630 Da
  • ChemSpider ID107436749

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Indole-2,4,5,6,7-d5-3-propanoic acid, α-oxo- [ACD/Index Name]
3-[(2,4,5,6,7-2H5)-1H-Indol-3-yl]-2-oxopropanoic acid [ACD/IUPAC Name]
3-[(2,4,5,6,7-2H5)-1H-Indol-3-yl]-2-oxopropansäure [German] [ACD/IUPAC Name]
Acide 3-[(2,4,5,6,7-2H5)-1H-indol-3-yl]-2-oxopropanoïque [French] [ACD/IUPAC Name]
85163-57-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 445.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 223.0±24.0 °C
Index of Refraction: 1.685
Molar Refractivity: 54.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 70.3±3.0 dyne/cm
Molar Volume: 142.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement