ChemSpider 2D Image | (1S,5S)-9-Oxobicyclo[3.3.1]nonane-3-carboxylic acid | C10H14O3

(1S,5S)-9-Oxobicyclo[3.3.1]nonane-3-carboxylic acid

  • Molecular FormulaC10H14O3
  • Average mass182.216 Da
  • Monoisotopic mass182.094299 Da
  • ChemSpider ID81361068

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5S)-9-Oxobicyclo[3.3.1]nonan-3-carbonsäure [German] [ACD/IUPAC Name]
(1S,5S)-9-Oxobicyclo[3.3.1]nonane-3-carboxylic acid [ACD/IUPAC Name]
Acide (1S,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]nonane-3-carboxylic acid, 9-oxo-, (1S,5S)- [ACD/Index Name]
63242-00-2 [RN]
9-Oxo-bicyclo[3.3.1]nonane-3-carboxylic acid
MFCD08447209 [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: 356.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.1±6.0 kJ/mol
Flash Point: 183.4±22.4 °C
Index of Refraction: 1.525
Molar Refractivity: 45.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.40
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 149.4±3.0 cm3

Click to predict properties on the Chemicalize site


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