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ChemSpider 2D Image | 2-(2,4,5,7-Tetraiodo-6-oxido-3-oxo-8a,10a-dihydro-3H-xanthen-9-yl)benzoate | C20H8I4O5


  • Molecular FormulaC20H8I4O5
  • Average mass835.893 Da
  • Monoisotopic mass835.656128 Da
  • ChemSpider ID58163843
  • Charge - Charge

More details:

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

2-(2,4,5,7-Tetraiod-6-oxido-3-oxo-8a,10a-dihydro-3H-xanthen-9-yl)benzoat [German] [ACD/IUPAC Name]
2-(2,4,5,7-Tétraiodo-3-oxo-6-oxydo-8a,10a-dihydro-3H-xanthén-9-yl)benzoate [French] [ACD/IUPAC Name]
2-(2,4,5,7-Tetraiodo-6-oxido-3-oxo-8a,10a-dihydro-3H-xanthen-9-yl)benzoate [ACD/IUPAC Name]
Benzoic acid, 2-(8a,10a-dihydro-6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)-, ion(2-) [ACD/Index Name]
  • Miscellaneous

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

Boiling Point: 737.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 399.7±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 345.69
ACD/KOC (pH 5.5): 803.03
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 11.87
ACD/KOC (pH 7.4): 27.57
Polar Surface Area: 89 Å2
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site