ChemSpider 2D Image | 2-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-9-xanthenyl)benzoic acid | C20H8I4O5

2-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-9-xanthenyl)benzoic acid

  • Molecular FormulaC20H8I4O5
  • Average mass835.892 Da
  • Monoisotopic mass835.655029 Da
  • ChemSpider ID25934

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

2-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-9-xanthenyl)benzoic acid
2-(6-Hydroxy-2,4,5,7-tetraiod-3-oxo-3H-xanthen-9-yl)benzoesäure [German] [ACD/IUPAC Name]
2-(6-Hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)benzoic acid [ACD/IUPAC Name]
2-(6-Hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)-benzoic acid
Acide 2-(6-hydroxy-2,4,5,7-tétraiodo-3-oxo-3H-xanthén-9-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)- [ACD/Index Name]
MFCD00066642 [MDL number]
15905-32-5 [RN]
2-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthen-9-yl)benzoic acid
2-(6-hydroxy-2,4,5,7-tetraiodo-3-oxoxanthen-9-yl)benzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 4905 [DBID]
NSC36685 [DBID]
NSC4905 [DBID]

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

Density: 2.8±0.1 g/cm3
Boiling Point: 693.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 373.0±31.5 °C
Index of Refraction: 1.926
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 1095.61
ACD/KOC (pH 5.5): 1370.20
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 10.51
ACD/KOC (pH 7.4): 13.14
Polar Surface Area: 84 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 104.8±5.0 dyne/cm
Molar Volume: 294.4±5.0 cm3

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