ChemSpider 2D Image | (7-Methyl-2-oxo-2H-chromen-4-yl)methyl 1-(phenylsulfonyl)cyclopentanecarboxylate | C23H22O6S

(7-Methyl-2-oxo-2H-chromen-4-yl)methyl 1-(phenylsulfonyl)cyclopentanecarboxylate

  • Molecular FormulaC23H22O6S
  • Average mass426.482 Da
  • Monoisotopic mass426.113708 Da
  • ChemSpider ID22566876

More details:

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

(7-Methyl-2-oxo-2H-chromen-4-yl)methyl 1-(phenylsulfonyl)cyclopentanecarboxylate [ACD/IUPAC Name]
(7-Methyl-2-oxo-2H-chromen-4-yl)methyl-1-(phenylsulfonyl)cyclopentancarboxylat [German] [ACD/IUPAC Name]
1-(Phénylsulfonyl)cyclopentanecarboxylate de (7-méthyl-2-oxo-2H-chromén-4-yl)méthyle [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 1-(phenylsulfonyl)-, (7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl ester [ACD/Index 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: 645.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.1±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 110.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 388.60
ACD/KOC (pH 5.5): 2484.12
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 388.60
ACD/KOC (pH 7.4): 2484.12
Polar Surface Area: 95 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 319.4±3.0 cm3

Click to predict properties on the Chemicalize site


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