ChemSpider 2D Image | Methyl 3-[(2-acetoxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | C19H23NO6

Methyl 3-[(2-acetoxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC19H23NO6
  • Average mass361.389 Da
  • Monoisotopic mass361.152527 Da
  • ChemSpider ID95637256

More details:

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

3-[(2-Acétoxybenzoyl)oxy]-8-méthyl-8-azabicyclo[3.2.1]octane-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[[2-(acetyloxy)benzoyl]oxy]-8-methyl-, methyl ester [ACD/Index Name]
Methyl 3-[(2-acetoxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Methyl-3-[(2-acetoxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-2-carboxylat [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: 443.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 222.1±28.7 °C
Index of Refraction: 1.565
Molar Refractivity: 92.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 25.63
Polar Surface Area: 82 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 283.0±5.0 cm3

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