ChemSpider 2D Image | Ioxitalamic acid | C12H11I3N2O5

Ioxitalamic acid

  • Molecular FormulaC12H11I3N2O5
  • Average mass643.940 Da
  • Monoisotopic mass643.780151 Da
  • ChemSpider ID31782

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

248-887-5 [EINECS]
2742
28179-44-4 [RN]
3-(acetylamino)-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
3-[(E)-(1-Hydroxyethyliden)amino]-5-{(Z)-hydroxy[(2-hydroxyethyl)imino]methyl}-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-[(E)-(1-Hydroxyethylidene)amino]-5-{(Z)-hydroxy[(2-hydroxyethyl)imino]methyl}-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
3-Acetamido-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-Acetamido-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
967RDI7Z6K
Acide 3-[(E)-(1-hydroxyéthylidène)amino]-5-{(Z)-hydroxy[(2-hydroxyéthyl)imino]méthyl}-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG 58107 [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 582.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 306.3±30.1 °C
Index of Refraction: 1.768
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 82.2±3.0 dyne/cm
Molar Volume: 255.6±3.0 cm3

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