ChemSpider 2D Image | Ethyl 5-oxo-2-(phenylsulfonyl)-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxylate | C17H18O6S

Ethyl 5-oxo-2-(phenylsulfonyl)-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

  • Molecular FormulaC17H18O6S
  • Average mass350.386 Da
  • Monoisotopic mass350.082397 Da
  • ChemSpider ID22797911

More details:

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

3,5-Methano-2H-cyclopenta[b]furan-7-carboxylic acid, hexahydro-2-oxo-6-(phenylsulfonyl)-, ethyl ester [ACD/Index Name]
5-Oxo-2-(phénylsulfonyl)-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-oxo-2-(phenylsulfonyl)-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate [ACD/IUPAC Name]
Ethyl-5-oxo-2-(phenylsulfonyl)-4-oxatricyclo[4.2.1.03,7]nonan-9-carboxylat [German] [ACD/IUPAC Name]
ethyl 2-oxo-6-(phenylsulfonyl)hexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxylate
ethyl 4-oxo-9-(phenylsulfonyl)-5-oxatricyclo[4.2.1.0<3,7>]nonane-2-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 580.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.0±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.97
ACD/KOC (pH 5.5): 56.64
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 56.64
Polar Surface Area: 95 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 250.6±3.0 cm3

Click to predict properties on the Chemicalize site


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