ChemSpider 2D Image | 4-{[(Benzyloxy)carbonyl]amino}bicyclo[2.2.2]octane-1-carboxylic acid | C17H21NO4

4-{[(Benzyloxy)carbonyl]amino}bicyclo[2.2.2]octane-1-carboxylic acid

  • Molecular FormulaC17H21NO4
  • Average mass303.353 Da
  • Monoisotopic mass303.147064 Da
  • ChemSpider ID96442845

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[(Benzyloxy)carbonyl]amino}bicyclo[2.2.2]octan-1-carbonsäure [German] [ACD/IUPAC Name]
4-{[(Benzyloxy)carbonyl]amino}bicyclo[2.2.2]octane-1-carboxylic acid [ACD/IUPAC Name]
Acide 4-{[(benzyloxy)carbonyl]amino}bicyclo[2.2.2]octane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]octane-1-carboxylic acid, 4-[[(phenylmethoxy)carbonyl]amino]- [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: 496.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 254.2±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 23.01
ACD/KOC (pH 5.5): 206.65
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.41
Polar Surface Area: 76 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 238.9±5.0 cm3

Click to predict properties on the Chemicalize site


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