ChemSpider 2D Image | (1R,2Z,8S,9R)-Bicyclo[6.1.0]non-2-ene-9-carboxylic acid | C10H14O2

(1R,2Z,8S,9R)-Bicyclo[6.1.0]non-2-ene-9-carboxylic acid

  • Molecular FormulaC10H14O2
  • Average mass166.217 Da
  • Monoisotopic mass166.099380 Da
  • ChemSpider ID103885355

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2Z,8S,9R)-Bicyclo[6.1.0]non-2-en-9-carbonsäure [German] [ACD/IUPAC Name]
(1R,2Z,8S,9R)-Bicyclo[6.1.0]non-2-ene-9-carboxylic acid [ACD/IUPAC Name]
79549-90-9 [RN]
Acide (1R,2Z,8S,9R)-bicyclo[6.1.0]non-2-ène-9-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[6.1.0]non-2-ene-9-carboxylic acid, (1R,2Z,8S,9R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 298.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.2±6.0 kJ/mol
Flash Point: 138.4±13.4 °C
Index of Refraction: 1.531
Molar Refractivity: 45.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 6.35
ACD/KOC (pH 5.5): 74.45
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.18
Polar Surface Area: 37 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 146.2±3.0 cm3

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