ChemSpider 2D Image | (1S,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid | C10H14O3

(1S,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid

  • Molecular FormulaC10H14O3
  • Average mass182.216 Da
  • Monoisotopic mass182.094299 Da
  • ChemSpider ID57619247

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-carbonsäure [German] [ACD/IUPAC Name]
(1S,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid [ACD/IUPAC Name]
Acide (1S,4S)-7,7-diméthyl-2-oxobicyclo[2.2.1]heptane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-1-carboxylic acid, 7,7-dimethyl-2-oxo-, (1S,4S)- [ACD/Index Name]
(S)-(+)-Ketopinic acid
40724-67-2 [RN]
464-78-8 [RN]
7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 313.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.0±6.0 kJ/mol
Flash Point: 157.5±19.7 °C
Index of Refraction: 1.535
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: 0.70
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): -2.19
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: 49.0±3.0 dyne/cm
Molar Volume: 147.1±3.0 cm3

Click to predict properties on the Chemicalize site


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