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Search term: XUXYLJKUDQCOMY-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [3-(4-Iodophenyl)-1-(2-naphthyl)-3-oxopropyl]malonic acid | C22H17IO5

[3-(4-Iodophenyl)-1-(2-naphthyl)-3-oxopropyl]malonic acid

  • Molecular FormulaC22H17IO5
  • Average mass488.272 Da
  • Monoisotopic mass488.012054 Da
  • ChemSpider ID28662602

More details:

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

[3-(4-Iodophenyl)-1-(2-naphthyl)-3-oxopropyl]malonic acid [ACD/IUPAC Name]
[3-(4-Iodphenyl)-1-(2-naphthyl)-3-oxopropyl]malonsäure [German] [ACD/IUPAC Name]
Acide [3-(4-iodophényl)-1-(2-naphtyl)-3-oxopropyl]malonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[3-(4-iodophenyl)-1-(2-naphthalenyl)-3-oxopropyl]- [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: 702.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.7±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 13.94
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 294.3±3.0 cm3

Click to predict properties on the Chemicalize site


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