ChemSpider 2D Image | (1R,2R)-2-(2,4-Dimethylbenzoyl)cyclohexanecarboxylic acid | C16H20O3

(1R,2R)-2-(2,4-Dimethylbenzoyl)cyclohexanecarboxylic acid

  • Molecular FormulaC16H20O3
  • Average mass260.328 Da
  • Monoisotopic mass260.141235 Da
  • ChemSpider ID21396944

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-2-(2,4-Dimethylbenzoyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-(2,4-Dimethylbenzoyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
733742-81-9 [RN]
Acide (1R,2R)-2-(2,4-diméthylbenzoyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-(2,4-dimethylbenzoyl)-, (1R,2R)- [ACD/Index Name]
rel-(1R,2R)-2-(2,4-Dimethylbenzoyl)cyclohexanecarboxylic acid
(1R,2R)-2-(2,4-dimethylbenzoyl)cyclohexane-1-carboxylic acid
85603-44-7 [RN]
cis-2-(2,4-dimethylbenzoyl)cyclohexane-1-carboxylic acid
MFCD01319747 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 436.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 232.2±25.2 °C
Index of Refraction: 1.553
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 19.88
ACD/KOC (pH 5.5): 135.71
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 54 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 228.3±3.0 cm3

Click to predict properties on the Chemicalize site


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