ChemSpider 2D Image | (3E)-4-Hydroxy-3-{[(4-methyl-5-oxo-2,5-dihydro-2-furanyl)oxy]methylene}-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one | C17H14O6

(3E)-4-Hydroxy-3-{[(4-methyl-5-oxo-2,5-dihydro-2-furanyl)oxy]methylene}-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one

  • Molecular FormulaC17H14O6
  • Average mass314.289 Da
  • Monoisotopic mass314.079041 Da
  • ChemSpider ID26994270

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-4-Hydroxy-3-{[(4-methyl-5-oxo-2,5-dihydro-2-furanyl)oxy]methylen}-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-on [German] [ACD/IUPAC Name]
(3E)-4-Hydroxy-3-{[(4-methyl-5-oxo-2,5-dihydro-2-furanyl)oxy]methylene}-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one [ACD/IUPAC Name]
(3E)-4-Hydroxy-3-{[(4-méthyl-5-oxo-2,5-dihydro-2-furanyl)oxy]méthylène}-3,3a,4,8b-tétrahydro-2H-indéno[1,2-b]furan-2-one [French] [ACD/IUPAC Name]
2H-Indeno[1,2-b]furan-2-one, 3-[[(2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy]methylene]-3,3a,4,8b-tetrahydro-4-hydroxy-, (3E)- [ACD/Index Name]
(3aS*,4R*,8bS*,E)-4-Hydroxy-3-((((R*)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl)oxy)methylene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 636.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 242.0±25.0 °C
Index of Refraction: 1.654
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 48.75
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 48.75
Polar Surface Area: 82 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 212.2±5.0 cm3

Click to predict properties on the Chemicalize site


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