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Search term: YYYAHPGDRHVWNJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-(3,3-Dihydroxy-2-iminopropyl)-2,3',4-triiodo-3,4'-biphenyldiol | C15H12I3NO4

6-(3,3-Dihydroxy-2-iminopropyl)-2,3',4-triiodo-3,4'-biphenyldiol

  • Molecular FormulaC15H12I3NO4
  • Average mass650.974 Da
  • Monoisotopic mass650.790039 Da
  • ChemSpider ID95588805

More details:

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

[1,1'-Biphenyl]-3,4'-diol, 6-(3,3-dihydroxy-2-iminopropyl)-2,3',4-triiodo- [ACD/Index Name]
6-(3,3-Dihydroxy-2-iminopropyl)-2,3',4-triiod-3,4'-biphenyldiol [German] [ACD/IUPAC Name]
6-(3,3-Dihydroxy-2-iminopropyl)-2,3',4-triiodo-3,4'-biphenyldiol [ACD/IUPAC Name]
6-(3,3-Dihydroxy-2-iminopropyl)-2,3',4-triiodo-3,4'-biphényldiol [French] [ACD/IUPAC Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 588.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.5±30.1 °C
Index of Refraction: 1.805
Molar Refractivity: 109.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 14.27
ACD/KOC (pH 5.5): 113.74
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 13.40
ACD/KOC (pH 7.4): 106.89
Polar Surface Area: 105 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 255.8±7.0 cm3

Click to predict properties on the Chemicalize site


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