ChemSpider 2D Image | (1R,8S)-Tricyclo[6.3.1.0~2,7~]dodeca-2,4,6-trien-10-one | C12H12O

(1R,8S)-Tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one

  • Molecular FormulaC12H12O
  • Average mass172.223 Da
  • Monoisotopic mass172.088821 Da
  • ChemSpider ID32791189

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,8S)-Tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-on [German] [ACD/IUPAC Name]
(1R,8S)-Tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-one [ACD/IUPAC Name]
(1R,8S)-Tricyclo[6.3.1.02,7]dodéca-2,4,6-trién-10-one [French] [ACD/IUPAC Name]
5,9-Methano-7H-benzocyclohepten-7-one, 5,6,8,9-tetrahydro-, (5R,9S)- [ACD/Index Name]
[13351-26-3] [RN]
13351-26-3 [RN]
5,9-methano-6,7,8,9-tetrahydro-7h-benzocycloheptene-7-one
8,9-Dihydro-5H-5,9-methanobenzo[7]annulen-7(6H)-one
MFCD15071620 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 307.2±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 132.0±19.8 °C
Index of Refraction: 1.591
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.78
ACD/KOC (pH 5.5): 375.86
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.78
ACD/KOC (pH 7.4): 375.86
Polar Surface Area: 17 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 149.3±3.0 cm3

Click to predict properties on the Chemicalize site


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