ChemSpider 2D Image | (1R)-3-(Methoxycarbonyl)cyclohexanecarboxylic acid | C9H14O4

(1R)-3-(Methoxycarbonyl)cyclohexanecarboxylic acid

  • Molecular FormulaC9H14O4
  • Average mass186.205 Da
  • Monoisotopic mass186.089203 Da
  • ChemSpider ID62175628

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1R)-3-(Methoxycarbonyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R)-3-(Methoxycarbonyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
1,3-Cyclohexanedicarboxylic acid, monomethyl ester, (3R)- [ACD/Index Name]
Acide (1R)-3-(méthoxycarbonyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
2089647-75-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 303.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 59.8±6.0 kJ/mol
Flash Point: 118.3±19.4 °C
Index of Refraction: 1.484
Molar Refractivity: 44.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.65
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 156.3±3.0 cm3

Click to predict properties on the Chemicalize site


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