ChemSpider 2D Image | 2-{[(3S)-5-Oxotetrahydro-3-furanyl]methyl}-1H-isoindole-1,3(2H)-dione | C13H11NO4

2-{[(3S)-5-Oxotetrahydro-3-furanyl]methyl}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC13H11NO4
  • Average mass245.231 Da
  • Monoisotopic mass245.068802 Da
  • ChemSpider ID30658845

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[[(3S)-tetrahydro-5-oxo-3-furanyl]methyl]- [ACD/Index Name]
2-{[(3S)-5-Oxotetrahydro-3-furanyl]methyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{[(3S)-5-Oxotetrahydro-3-furanyl]methyl}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{[(3S)-5-Oxotétrahydro-3-furanyl]méthyl}-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC 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: 454.7±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.8±21.2 °C
Index of Refraction: 1.619
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.11
ACD/KOC (pH 5.5): 78.43
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.11
ACD/KOC (pH 7.4): 78.43
Polar Surface Area: 64 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 172.5±3.0 cm3

Click to predict properties on the Chemicalize site


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