ChemSpider 2D Image | 2',7'-Dihydroxy-1',3',6',8'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one | C20H8I4O5

2',7'-Dihydroxy-1',3',6',8'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

  • Molecular FormulaC20H8I4O5
  • Average mass835.892 Da
  • Monoisotopic mass835.655029 Da
  • ChemSpider ID10152714

More details:

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

2',7'-Dihydroxy-1',3',6',8'-tetraiod-3H-spiro[2-benzofuran-1,9'-xanthen]-3-on [German] [ACD/IUPAC Name]
2',7'-Dihydroxy-1',3',6',8'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [ACD/IUPAC Name]
2',7'-Dihydroxy-1',3',6',8'-tétraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',7'-dihydroxy-1',3',6',8'-tetraiodo- [ACD/Index Name]

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

Density: 2.9±0.1 g/cm3
Boiling Point: 625.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 332.1±31.5 °C
Index of Refraction: 1.972
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 80455.67
ACD/KOC (pH 5.5): 104666.64
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 992.99
ACD/KOC (pH 7.4): 1291.80
Polar Surface Area: 76 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 116.5±5.0 dyne/cm
Molar Volume: 284.7±5.0 cm3

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