ChemSpider 2D Image | (5S)-5-[(S)-(2-Chlorophenyl)(hydroxy)methyl]-4-methoxy-2(5H)-furanone | C12H11ClO4

(5S)-5-[(S)-(2-Chlorophenyl)(hydroxy)methyl]-4-methoxy-2(5H)-furanone

  • Molecular FormulaC12H11ClO4
  • Average mass254.666 Da
  • Monoisotopic mass254.034592 Da
  • ChemSpider ID74041051

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-5-[(S)-(2-Chlorophenyl)(hydroxy)methyl]-4-methoxy-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-[(S)-(2-Chlorophényl)(hydroxy)méthyl]-4-méthoxy-2(5H)-furanone [French] [ACD/IUPAC Name]
(5S)-5-[(S)-(2-Chlorphenyl)(hydroxy)methyl]-4-methoxy-2(5H)-furanon [German] [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(S)-(2-chlorophenyl)hydroxymethyl]-4-methoxy-, (5S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 480.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 244.1±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 62.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.69
ACD/KOC (pH 5.5): 105.15
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.69
ACD/KOC (pH 7.4): 105.15
Polar Surface Area: 56 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 182.5±5.0 cm3

Click to predict properties on the Chemicalize site


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