ChemSpider 2D Image | (4,5,6,7-~2~H_4_)-1H-Indol-3-ylacetic acid | C10H5D4NO2

(4,5,6,7-2H4)-1H-Indol-3-ylacetic acid

  • Molecular FormulaC10H5D4NO2
  • Average mass179.209 Da
  • Monoisotopic mass179.088440 Da
  • ChemSpider ID48061897
  • Non-standard isotope - Non-standard isotope


More details:






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

(4,5,6,7-2H4)-1H-Indol-3-ylacetic acid [ACD/IUPAC Name]
(4,5,6,7-2H4)-1H-Indol-3-ylessigsäure [German] [ACD/IUPAC Name]
1H-Indole-4,5,6,7-d4-3-acetic acid [ACD/Index Name]
Acide (4,5,6,7-2H4)-1H-indol-3-ylacétique [French] [ACD/IUPAC Name]
2-(4,5,6,7-tetradeuterio-1H-indol-3-yl)acetic acid
4,5,6,7-tetradeutero-indole-3-acetic acid
76937-77-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 415.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 204.8±21.8 °C
Index of Refraction: 1.694
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 18.68
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 53 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 129.3±3.0 cm3

Click to predict properties on the Chemicalize site






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