ChemSpider 2D Image | 2-Iodo-1-methyl-1H-indole-3,5,6-triol | C9H8INO3

2-Iodo-1-methyl-1H-indole-3,5,6-triol

  • Molecular FormulaC9H8INO3
  • Average mass305.069 Da
  • Monoisotopic mass304.954865 Da
  • ChemSpider ID32739438

More details:

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

1H-Indole-3,5,6-triol, 2-iodo-1-methyl- [ACD/Index Name]
2-Iod-1-methyl-1H-indol-3,5,6-triol [German] [ACD/IUPAC Name]
2-Iodo-1-methyl-1H-indole-3,5,6-triol [ACD/IUPAC Name]
2-Iodo-1-méthyl-1H-indole-3,5,6-triol [French] [ACD/IUPAC Name]
90416-86-7 [RN]
indole-3,5,6-triol,2-iodo-1-methyl-
MFCD13177455

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

Density: 2.2±0.1 g/cm3
Boiling Point: 444.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 222.5±27.3 °C
Index of Refraction: 1.766
Molar Refractivity: 57.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.68
ACD/KOC (pH 5.5): 237.93
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 11.95
ACD/KOC (pH 7.4): 193.59
Polar Surface Area: 66 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 139.8±7.0 cm3

Click to predict properties on the Chemicalize site


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