ChemSpider 2D Image | (1R,6s,7S)-Tricyclo[4.1.0.0~2,7~]hept-4-en-3-one | C7H6O

(1R,6s,7S)-Tricyclo[4.1.0.02,7]hept-4-en-3-one

  • Molecular FormulaC7H6O
  • Average mass106.122 Da
  • Monoisotopic mass106.041862 Da
  • ChemSpider ID61442064

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1R,6s,7S)-Tricyclo[4.1.0.02,7]hept-4-en-3-on [German] [ACD/IUPAC Name]
(1R,6s,7S)-Tricyclo[4.1.0.02,7]hept-4-en-3-one [ACD/IUPAC Name]
(1R,6s,7S)-Tricyclo[4.1.0.02,7]hept-4-én-3-one [French] [ACD/IUPAC Name]
Tricyclo[4.1.0.02,7]hept-4-en-3-one, (1R,7S)- [ACD/Index Name]
58987-16-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 204.8±7.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.1±3.0 kJ/mol
Flash Point: 82.2±4.3 °C
Index of Refraction: 1.662
Molar Refractivity: 28.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 43.56
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 43.56
Polar Surface Area: 17 Å2
Polarizability: 11.1±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 76.0±3.0 cm3

Click to predict properties on the Chemicalize site


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