ChemSpider 2D Image | Propyl 3-{7-[2-chloro(phenyl)acetoxy]-4-methyl-2-oxo-2H-chromen-6-yl}propanoate | C24H23ClO6

Propyl 3-{7-[2-chloro(phenyl)acetoxy]-4-methyl-2-oxo-2H-chromen-6-yl}propanoate

  • Molecular FormulaC24H23ClO6
  • Average mass442.889 Da
  • Monoisotopic mass442.118317 Da
  • ChemSpider ID24547798

More details:

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

2H-1-Benzopyran-6-propanoic acid, 7-[(2-chloro-2-phenylacetyl)oxy]-4-methyl-2-oxo-, propyl ester [ACD/Index Name]
3-[7-(2-Chloro-2-phénylacétoxy)-4-méthyl-2-oxo-2H-chromén-6-yl]propanoate de propyle [French] [ACD/IUPAC Name]
Propyl 3-{7-[2-chloro(phenyl)acetoxy]-4-methyl-2-oxo-2H-chromen-6-yl}propanoate [ACD/IUPAC Name]
Propyl-3-{7-[2-chlor(phenyl)acetoxy]-4-methyl-2-oxo-2H-chromen-6-yl}propanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 601.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 208.3±30.5 °C
Index of Refraction: 1.575
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1265.24
ACD/KOC (pH 5.5): 5782.75
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1265.24
ACD/KOC (pH 7.4): 5782.75
Polar Surface Area: 79 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 347.9±3.0 cm3

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