ChemSpider 2D Image | (1S,2S,4S)-Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid | C9H12O2

(1S,2S,4S)-Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid

  • Molecular FormulaC9H12O2
  • Average mass152.190 Da
  • Monoisotopic mass152.083725 Da
  • ChemSpider ID61398425

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,4S)-Bicyclo[2.2.2]oct-5-en-2-carbonsäure [German] [ACD/IUPAC Name]
(1S,2S,4S)-Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide (1S,2S,4S)-bicyclo[2.2.2]oct-5-ène-2-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, (1S,2S,4S)- [ACD/Index Name]
20507-57-7 [RN]
41977-03-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 282.3±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.3±6.0 kJ/mol
Flash Point: 129.6±16.2 °C
Index of Refraction: 1.546
Molar Refractivity: 40.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 25.07
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 128.5±3.0 cm3

Click to predict properties on the Chemicalize site


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