Found 15 results

Search term: XHSDUVBUZOUAOQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3E,3aR,8bR)-3-({[(2S)-4-Methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one | C17H14O5

(3E,3aR,8bR)-3-({[(2S)-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 FormulaC17H14O5
  • Average mass298.290 Da
  • Monoisotopic mass298.084137 Da
  • ChemSpider ID24747233

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(3E,3aR,8bR)-3-({[(2S)-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,3aR,8bR)-3-({[(2S)-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,3aR,8bR)-3-({[(2S)-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-[[[(2S)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]oxy]methylene]-3,3a,4,8b-tetrahydro-, (3E,3aR,8bR)- [ACD/Index Name]
(3aR*,8bS*,E)-3-(((R*)-4-methyl-5-oxo-2,5-dihydrofuran-2-yloxy)methylene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
76974-79-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 567.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 254.9±30.2 °C
Index of Refraction: 1.631
Molar Refractivity: 76.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.93
ACD/KOC (pH 5.5): 217.36
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.93
ACD/KOC (pH 7.4): 217.36
Polar Surface Area: 62 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 214.3±5.0 cm3

Click to predict properties on the Chemicalize site


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