ChemSpider 2D Image | (2aR,8aR)-1,2,2a,8a-Tetrahydro-8H-cyclobuta[b]chromen-8-one | C11H10O2

(2aR,8aR)-1,2,2a,8a-Tetrahydro-8H-cyclobuta[b]chromen-8-one

  • Molecular FormulaC11H10O2
  • Average mass174.196 Da
  • Monoisotopic mass174.068085 Da
  • ChemSpider ID68015998

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2aR,8aR)-1,2,2a,8a-Tetrahydro-8H-cyclobuta[b]chromen-8-on [German] [ACD/IUPAC Name]
(2aR,8aR)-1,2,2a,8a-Tetrahydro-8H-cyclobuta[b]chromen-8-one [ACD/IUPAC Name]
(2aR,8aR)-1,2,2a,8a-Tétrahydro-8H-cyclobuta[b]chromén-8-one [French] [ACD/IUPAC Name]
8H-Cyclobuta[b][1]benzopyran-8-one, 1,2,2a,8a-tetrahydro-, (2aR,8aR)- [ACD/Index Name]
2219372-18-4 [RN]
rac-(3R,6R)-2-oxatricyclo[6.4.0.0,3,6]dodeca-1(8),9,11-trien-7-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 309.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 148.3±15.9 °C
Index of Refraction: 1.591
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.12
ACD/KOC (pH 5.5): 379.16
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.12
ACD/KOC (pH 7.4): 379.16
Polar Surface Area: 26 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 140.3±3.0 cm3

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