ChemSpider 2D Image | 3',6'-Dihydroxy-4,5,6,7-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one | C20H8I4O5

3',6'-Dihydroxy-4,5,6,7-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

  • Molecular FormulaC20H8I4O5
  • Average mass835.892 Da
  • Monoisotopic mass835.655029 Da
  • ChemSpider ID10677560

More details:

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

3',6'-Dihydroxy-4,5,6,7-tetraiod-3H-spiro[2-benzofuran-1,9'-xanthen]-3-on [German] [ACD/IUPAC Name]
3',6'-Dihydroxy-4,5,6,7-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [ACD/IUPAC Name]
3',6'-Dihydroxy-4,5,6,7-tétraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-4,5,6,7-tetraiodo- [ACD/Index Name]
15905-32-5 [RN]
3',6'-dihydroxy-4,5,6,7-tetraiodo-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
767625-50-3 [RN]
MFCD00005044 [MDL number]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-dihydroxy-2',4',5',7'-tetraiodo-, radical ion(1-) (9CI)
Spiro[isobenzofuran-1(3H),9'-[9h]xanthen]-3-one,3',6'-dihydroxy-2',4',5',7'-tetraiodo-,radical ion(1-)(9ci)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.9±0.0 g/cm3
Boiling Point: 815.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±0.0 kJ/mol
Flash Point: 446.8±0.0 °C
Index of Refraction: 1.972
Molar Refractivity: 139.7±0.0 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 51882.64
ACD/KOC (pH 5.5): 82522.17
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51093.42
ACD/KOC (pH 7.4): 81266.88
Polar Surface Area: 76 Å2
Polarizability: 55.4±0.0 10-24cm3
Surface Tension: 116.5±0.0 dyne/cm
Molar Volume: 284.7±0.0 cm3

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