ChemSpider 2D Image | 3-Acetamido-5-{[(1E)-2-hydroxy-2-(methylamino)ethylidene]carbamoyl}-2,4,6-triiodobenzoic acid | C13H12I3N3O5

3-Acetamido-5-{[(1E)-2-hydroxy-2-(methylamino)ethylidene]carbamoyl}-2,4,6-triiodobenzoic acid

  • Molecular FormulaC13H12I3N3O5
  • Average mass670.965 Da
  • Monoisotopic mass670.791077 Da
  • ChemSpider ID95690564

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Acetamido-5-{[(1E)-2-hydroxy-2-(methylamino)ethyliden]carbamoyl}-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-Acetamido-5-{[(1E)-2-hydroxy-2-(methylamino)ethylidene]carbamoyl}-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
Acide 3-acétamido-5-{[(1E)-2-hydroxy-2-(méthylamino)éthylidène]carbamoyl}-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(acetylamino)-5-[[[(1E)-2-hydroxy-2-(methylamino)ethylidene]amino]carbonyl]-2,4,6-triiodo- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.777
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 68.4±7.0 dyne/cm
Molar Volume: 265.0±7.0 cm3

Click to predict properties on the Chemicalize site


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