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Search term: 24664190 (Found by CSID)
ChemSpider 2D Image | (3aS,5aR,10bS)-3a,10b-Dimethyl-3,3a,5a,7,10b,10c-hexahydro-4H,9H-[2]benzofuro[7,1-fg]isochromene-4,9-dione | C16H16O4

(3aS,5aR,10bS)-3a,10b-Dimethyl-3,3a,5a,7,10b,10c-hexahydro-4H,9H-[2]benzofuro[7,1-fg]isochromene-4,9-dione

  • Molecular FormulaC16H16O4
  • Average mass272.296 Da
  • Monoisotopic mass272.104858 Da
  • ChemSpider ID24664190

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3aS,5aR,10bS)-3a,10b-Dimethyl-3,3a,5a,7,10b,10c-hexahydro-4H,9H-[2]benzofuro[7,1-fg]isochromen-4,9-dion [German] [ACD/IUPAC Name]
(3aS,5aR,10bS)-3a,10b-Dimethyl-3,3a,5a,7,10b,10c-hexahydro-4H,9H-[2]benzofuro[7,1-fg]isochromene-4,9-dione [ACD/IUPAC Name]
(3aS,5aR,10bS)-3a,10b-Diméthyl-3,3a,5a,7,10b,10c-hexahydro-4H,9H-[2]benzofuro[7,1-fg]isochromène-4,9-dione [French] [ACD/IUPAC Name]
4H,9H-Furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione, 3,3a,5a,7,10b,10c-hexahydro-3a,10b-dimethyl-, (3aS,5aR,10bS)- [ACD/Index 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: 542.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 291.0±28.5 °C
Index of Refraction: 1.607
Molar Refractivity: 70.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.83
ACD/KOC (pH 5.5): 178.70
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.83
ACD/KOC (pH 7.4): 178.70
Polar Surface Area: 53 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 205.3±5.0 cm3

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