ChemSpider 2D Image | Methyl (3S)-2-oxotetrahydro-3-furancarboxylate | C6H8O4

Methyl (3S)-2-oxotetrahydro-3-furancarboxylate

  • Molecular FormulaC6H8O4
  • Average mass144.125 Da
  • Monoisotopic mass144.042252 Da
  • ChemSpider ID30794595

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-2-Oxotétrahydro-3-furanecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Furancarboxylic acid, tetrahydro-2-oxo-, methyl ester, (3S)- [ACD/Index Name]
Methyl (3S)-2-oxotetrahydro-3-furancarboxylate [ACD/IUPAC Name]
Methyl-(3S)-2-oxotetrahydro-3-furancarboxylat [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: 266.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.4±3.0 kJ/mol
Flash Point: 138.5±23.8 °C
Index of Refraction: 1.459
Molar Refractivity: 31.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.00
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.00
Polar Surface Area: 53 Å2
Polarizability: 12.3±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 113.9±3.0 cm3

Click to predict properties on the Chemicalize site


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