ChemSpider 2D Image | 2-{4-[(2-Chlorobenzoyl)oxy]phenyl}-2-oxoethyl 5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxylate | C24H19ClO7

2-{4-[(2-Chlorobenzoyl)oxy]phenyl}-2-oxoethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

  • Molecular FormulaC24H19ClO7
  • Average mass454.857 Da
  • Monoisotopic mass454.081940 Da
  • ChemSpider ID80835426

More details:

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

2-{4-[(2-Chlorbenzoyl)oxy]phenyl}-2-oxoethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-carboxylat [German] [ACD/IUPAC Name]
2-{4-[(2-Chlorobenzoyl)oxy]phenyl}-2-oxoethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate [ACD/IUPAC Name]
3,5-Methano-2H-cyclopenta[b]furan-7-carboxylic acid, hexahydro-2-oxo-, 2-[4-[(2-chlorobenzoyl)oxy]phenyl]-2-oxoethyl ester [ACD/Index Name]
5-Oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate de 2-{4-[(2-chlorobenzoyl)oxy]phényl}-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 672.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 247.3±30.5 °C
Index of Refraction: 1.620
Molar Refractivity: 111.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 264.74
ACD/KOC (pH 5.5): 1887.36
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.74
ACD/KOC (pH 7.4): 1887.36
Polar Surface Area: 96 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 318.2±3.0 cm3

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