ChemSpider 2D Image | (1R,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one | C11H10O2

(1R,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one

  • Molecular FormulaC11H10O2
  • Average mass174.196 Da
  • Monoisotopic mass174.068085 Da
  • ChemSpider ID34978535

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-on [German] [ACD/IUPAC Name]
(1R,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one [ACD/IUPAC Name]
(1R,5R)-1-Phényl-3-oxabicyclo[3.1.0]hexan-2-one [French] [ACD/IUPAC Name]
3-Oxabicyclo[3.1.0]hexan-2-one, 1-phenyl-, (1R,5R)- [ACD/Index Name]
(1S,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one [ACD/IUPAC Name]
63106-93-4 [RN]
96847-53-9 [RN]
cis-1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 340.0±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 141.2±19.5 °C
Index of Refraction: 1.622
Molar Refractivity: 47.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.82
ACD/KOC (pH 5.5): 73.11
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.82
ACD/KOC (pH 7.4): 73.11
Polar Surface Area: 26 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 134.0±3.0 cm3

Click to predict properties on the Chemicalize site


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