ChemSpider 2D Image | 4-[(~2~H_5_)Cyclopropyl(hydroxy)methylene]-3,5-dioxocyclohexanecarboxylic acid | C11H7D5O5

4-[(2H5)Cyclopropyl(hydroxy)methylene]-3,5-dioxocyclohexanecarboxylic acid

  • Molecular FormulaC11H7D5O5
  • Average mass229.241 Da
  • Monoisotopic mass229.099854 Da
  • ChemSpider ID107437626

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

4-[(2H5)Cyclopropyl(hydroxy)methylen]-3,5-dioxocyclohexancarbonsäure [German] [ACD/IUPAC Name]
4-[(2H5)Cyclopropyl(hydroxy)methylene]-3,5-dioxocyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 4-[(2H5)cyclopropyl(hydroxy)méthylène]-3,5-dioxocyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-(cyclopropyl-d5hydroxymethylene)-3,5-dioxo- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 467.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 250.7±25.2 °C
Index of Refraction: 1.637
Molar Refractivity: 51.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 85.3±3.0 dyne/cm
Molar Volume: 143.9±3.0 cm3

Click to predict properties on the Chemicalize site


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