ChemSpider 2D Image | Methyl 5-{[(4-methoxy-4-oxobutyl)sulfinyl]methyl}-2-furoate | C12H16O6S

Methyl 5-{[(4-methoxy-4-oxobutyl)sulfinyl]methyl}-2-furoate

  • Molecular FormulaC12H16O6S
  • Average mass288.317 Da
  • Monoisotopic mass288.066772 Da
  • ChemSpider ID60196362

More details:

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

2-Furancarboxylic acid, 5-[[(4-methoxy-4-oxobutyl)sulfinyl]methyl]-, methyl ester [ACD/Index Name]
5-{[(4-Méthoxy-4-oxobutyl)sulfinyl]méthyl}-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{[(4-methoxy-4-oxobutyl)sulfinyl]methyl}-2-furoate [ACD/IUPAC Name]
Methyl-5-{[(4-methoxy-4-oxobutyl)sulfinyl]methyl}-2-furoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 471.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 239.1±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 69.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 63.90
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.34
ACD/KOC (pH 7.4): 63.90
Polar Surface Area: 102 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 222.0±3.0 cm3

Click to predict properties on the Chemicalize site


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