ChemSpider 2D Image | 1-{[3-(4-Hydroxy-3,5-diiodophenyl)propanoyl]oxy}-2,5-pyrrolidinedione | C13H11I2NO5

1-{[3-(4-Hydroxy-3,5-diiodophenyl)propanoyl]oxy}-2,5-pyrrolidinedione

  • Molecular FormulaC13H11I2NO5
  • Average mass515.039 Da
  • Monoisotopic mass514.872620 Da
  • ChemSpider ID559226

More details:

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

1-{[3-(4-Hydroxy-3,5-diiodophenyl)propanoyl]oxy}-2,5-pyrrolidinedione [ACD/IUPAC Name]
1-{[3-(4-Hydroxy-3,5-diiodophényl)propanoyl]oxy}-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
1-{[3-(4-Hydroxy-3,5-diiodphenyl)propanoyl]oxy}-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 1-[3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropoxy]- [ACD/Index Name]
1-[(3-{4-hydroxy-3,5-bis[(125i)iodo]phenyl}propanoyl)oxy]pyrrolidine-2,5-dione
110972-54-8 [RN]
2,5-Pyrrolidinedione, 1-[3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropoxy]- (9CI)
BENZENEPROPANOIC ACID,4-HYDROXY-3,5-DIIODO-, 2,5-DIOXO-1-PYRROLIDINYL ESTER

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

Density: 2.3±0.1 g/cm3
Boiling Point: 476.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 242.2±31.5 °C
Index of Refraction: 1.733
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.96
ACD/KOC (pH 5.5): 421.67
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 10.86
ACD/KOC (pH 7.4): 138.92
Polar Surface Area: 84 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 226.0±5.0 cm3

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