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Search term: RLEQHNWKPHJQER (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [3-(4-Iodophenyl)-3-oxo-1-phenylpropyl]malonic acid | C18H15IO5

[3-(4-Iodophenyl)-3-oxo-1-phenylpropyl]malonic acid

  • Molecular FormulaC18H15IO5
  • Average mass438.213 Da
  • Monoisotopic mass437.996399 Da
  • ChemSpider ID28668790

More details:

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

[3-(4-Iodophenyl)-3-oxo-1-phenylpropyl]malonic acid [ACD/IUPAC Name]
[3-(4-Iodphenyl)-3-oxo-1-phenylpropyl]malonsäure [German] [ACD/IUPAC Name]
Acide [3-(4-iodophényl)-3-oxo-1-phénylpropyl]malonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[3-(4-iodophenyl)-3-oxo-1-phenylpropyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 631.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.5±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.99
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 260.1±3.0 cm3

Click to predict properties on the Chemicalize site


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