ChemSpider 2D Image | (6S,7S)-7-Phenyl-1-azabicyclo[4.2.0]octan-8-one | C13H15NO

(6S,7S)-7-Phenyl-1-azabicyclo[4.2.0]octan-8-one

  • Molecular FormulaC13H15NO
  • Average mass201.264 Da
  • Monoisotopic mass201.115356 Da
  • ChemSpider ID107449050

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,7S)-7-Phenyl-1-azabicyclo[4.2.0]octan-8-on [German] [ACD/IUPAC Name]
(6S,7S)-7-Phenyl-1-azabicyclo[4.2.0]octan-8-one [ACD/IUPAC Name]
(6S,7S)-7-Phényl-1-azabicyclo[4.2.0]octan-8-one [French] [ACD/IUPAC Name]
1-Azabicyclo[4.2.0]octan-8-one, 7-phenyl-, (6S,7S)- [ACD/Index Name]
5562-61-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 361.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 170.3±13.5 °C
Index of Refraction: 1.601
Molar Refractivity: 59.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.78
ACD/KOC (pH 5.5): 262.07
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.78
ACD/KOC (pH 7.4): 262.07
Polar Surface Area: 20 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 172.4±5.0 cm3

Click to predict properties on the Chemicalize site


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