ChemSpider 2D Image | (6-Chloro-7-ethyl-2-oxo-2H-chromen-4-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate | C22H23ClO5

(6-Chloro-7-ethyl-2-oxo-2H-chromen-4-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate

  • Molecular FormulaC22H23ClO5
  • Average mass402.868 Da
  • Monoisotopic mass402.123413 Da
  • ChemSpider ID22360569

More details:

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

(6-Chlor-7-ethyl-2-oxo-2H-chromen-4-yl)methyl-9-oxobicyclo[3.3.1]nonan-3-carboxylat [German] [ACD/IUPAC Name]
(6-Chloro-7-ethyl-2-oxo-2H-chromen-4-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate [ACD/IUPAC Name]
9-Oxobicyclo[3.3.1]nonane-3-carboxylate de (6-chloro-7-éthyl-2-oxo-2H-chromén-4-yl)méthyle [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]nonane-3-carboxylic acid, 9-oxo-, (6-chloro-7-ethyl-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: 575.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 209.6±29.1 °C
Index of Refraction: 1.576
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2019.78
ACD/KOC (pH 5.5): 8082.28
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2019.78
ACD/KOC (pH 7.4): 8082.28
Polar Surface Area: 70 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 310.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement