ChemSpider 2D Image | (+)-methyl cyclohexylphenylglycolate | C15H20O3

(+)-methyl cyclohexylphenylglycolate

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID32701713
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(+)-methyl cyclohexylphenylglycolate
(2S)-Cyclohexyl(hydroxy)phénylacétate de méthyle [French] [ACD/IUPAC Name]
20585-33-5 [RN]
Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S)-cyclohexyl(hydroxy)phenylacetate [ACD/IUPAC Name]
Methyl-(2S)-cyclohexyl(hydroxy)phenylacetat [German] [ACD/IUPAC Name]
10399-13-0 [RN]
233-862-3 [EINECS]
Methyl cyclohexylphenylglycolate
METHYL CYCLOHEXYLPHENYLGLYCOLATE, (+)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

YFR28100YD [DBID]
UNII:YFR28100YD [DBID]
UNII-YFR28100YD [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 373.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 152.9±15.1 °C
Index of Refraction: 1.541
Molar Refractivity: 69.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 224.20
ACD/KOC (pH 5.5): 1675.69
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 224.20
ACD/KOC (pH 7.4): 1675.66
Polar Surface Area: 47 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 219.6±3.0 cm3

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