ChemSpider 2D Image | 1-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yl]ethanone | C9H14O

1-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yl]ethanone

  • Molecular FormulaC9H14O
  • Average mass138.207 Da
  • Monoisotopic mass138.104462 Da
  • ChemSpider ID62944630
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yl]ethanon [German] [ACD/IUPAC Name]
1-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yl]ethanone [ACD/IUPAC Name]
1-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]- [ACD/Index Name]
109583-34-8 [RN]
Ethanone, 1-bicyclo[2.2.1]hept-2-yl-, (1S-exo)- (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 207.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.4±3.0 kJ/mol
Flash Point: 72.8±6.1 °C
Index of Refraction: 1.491
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.31
ACD/KOC (pH 5.5): 437.24
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.31
ACD/KOC (pH 7.4): 437.24
Polar Surface Area: 17 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 136.5±3.0 cm3

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