ChemSpider 2D Image | 5-(Methoxycarbonyl)bicyclo[3.2.2]nonane-1-carboxylic acid | C12H18O4

5-(Methoxycarbonyl)bicyclo[3.2.2]nonane-1-carboxylic acid

  • Molecular FormulaC12H18O4
  • Average mass226.269 Da
  • Monoisotopic mass226.120514 Da
  • ChemSpider ID34499743

More details:






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

5-(Methoxycarbonyl)bicyclo[3.2.2]nonan-1-carbonsäure [German] [ACD/IUPAC Name]
5-(Methoxycarbonyl)bicyclo[3.2.2]nonane-1-carboxylic acid [ACD/IUPAC Name]
Acide 5-(méthoxycarbonyl)bicyclo[3.2.2]nonane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[3.2.2]nonane-1,5-dicarboxylic acid, monomethyl ester [ACD/Index Name]
5-(methoxycarbonyl)bicyclo[3.2.2]nonane-1-carboxylicacid
942999-81-7 [RN]
Chemistry 20677
MFCD28502793

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

Density: 1.3±0.1 g/cm3
Boiling Point: 339.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.0±6.0 kJ/mol
Flash Point: 126.2±19.4 °C
Index of Refraction: 1.539
Molar Refractivity: 56.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 33.59
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 180.1±3.0 cm3

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