ChemSpider 2D Image | (3aR,4R,7S,7aS)-hexahydro-4,7-epoxy-2-benzofuran-1,3-dione | C8H8O4

(3aR,4R,7S,7aS)-hexahydro-4,7-epoxy-2-benzofuran-1,3-dione

  • Molecular FormulaC8H8O4
  • Average mass168.147 Da
  • Monoisotopic mass168.042252 Da
  • ChemSpider ID23297727

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,6S,7S)-4,10-Dioxatricyclo[5.2.1.02,6]decan-3,5-dion [German] [ACD/IUPAC Name]
(1R,2R,6S,7S)-4,10-Dioxatricyclo[5.2.1.02,6]decane-3,5-dione [ACD/IUPAC Name]
(1R,2R,6S,7S)-4,10-Dioxatricyclo[5.2.1.02,6]décane-3,5-dione [French] [ACD/IUPAC Name]
(3aR,4R,7S,7aS)-hexahydro-4,7-epoxy-2-benzofuran-1,3-dione
4,7-epoxyisobenzofuran-1,3-dione, hexahydro-, (3aR,4R,7S,7aS)- [ACD/Index Name]
(1R,3S,4R,7S)-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione
51154-98-4 [RN]
Norcantharidin

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

Density: 1.5±0.0 g/cm3
Boiling Point: 362.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 60.8±0.0 kJ/mol
Flash Point: 167.0±0.0 °C
Index of Refraction: 1.549
Molar Refractivity: 36.5±0.0 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.06
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.06
Polar Surface Area: 53 Å2
Polarizability: 14.5±0.0 10-24cm3
Surface Tension: 50.1±0.0 dyne/cm
Molar Volume: 114.5±0.0 cm3

Click to predict properties on the Chemicalize site


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