ChemSpider 2D Image | (1R,2R)-2-(2-Methoxybenzoyl)cyclohexanecarboxylic acid | C15H18O4

(1R,2R)-2-(2-Methoxybenzoyl)cyclohexanecarboxylic acid

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID21396934
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2R)-2-(2-Methoxybenzoyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-(2-Methoxybenzoyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
733742-72-8 [RN]
Acide (1R,2R)-2-(2-méthoxybenzoyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-(2-methoxybenzoyl)-, (1R,2R)- [ACD/Index Name]
rel-(1R,2R)-2-(2-Methoxybenzoyl)cyclohexanecarboxylic acid
(1R,2R)-2-(2-methoxybenzoyl)cyclohexane-1-carboxylic acid
[733742-72-8]
MFCD01311265 [MDL number]
trans-2-(2-methoxybenzoyl)cyclohexane-1-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 438.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 163.3±19.4 °C
Index of Refraction: 1.551
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 2.84
ACD/KOC (pH 5.5): 33.31
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 219.7±3.0 cm3

Click to predict properties on the Chemicalize site






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