ChemSpider 2D Image | Methyl (9E,12R)-12-hydroxy-19-oxo-9-icosenoate | C21H38O4

Methyl (9E,12R)-12-hydroxy-19-oxo-9-icosenoate

  • Molecular FormulaC21H38O4
  • Average mass354.524 Da
  • Monoisotopic mass354.277008 Da
  • ChemSpider ID30649334

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9E,12R)-12-Hydroxy-19-oxo-9-icosénoate de méthyle [French] [ACD/IUPAC Name]
9-Eicosenoic acid, 12-hydroxy-19-oxo-, methyl ester, (9E,12R)- [ACD/Index Name]
Methyl (9E,12R)-12-hydroxy-19-oxo-9-icosenoate [ACD/IUPAC Name]
Methyl-(9E,12R)-12-hydroxy-19-oxo-9-icosenoat [German] [ACD/IUPAC Name]
(R)-Methyl 12-hydroxy-19-oxoicos-9-enoate
140-03-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 480.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.9±6.0 kJ/mol
Flash Point: 155.1±22.2 °C
Index of Refraction: 1.471
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2337.45
ACD/KOC (pH 5.5): 8973.10
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2337.45
ACD/KOC (pH 7.4): 8973.10
Polar Surface Area: 64 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 367.3±3.0 cm3

Click to predict properties on the Chemicalize site


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