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ChemSpider 2D Image | (1S,2R,6S)-2,6-Dimethyl-4,10-dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione | C10H12O4

(1S,2R,6S)-2,6-Dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

  • Molecular FormulaC10H12O4
  • Average mass196.200 Da
  • Monoisotopic mass196.073563 Da
  • ChemSpider ID29774062
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(1S,2R,6S)-2,6-Dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3,5-dion [German] [ACD/IUPAC Name]
(1S,2R,6S)-2,6-Dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione [ACD/IUPAC Name]
(1S,2R,6S)-2,6-Diméthyl-4,10-dioxatricyclo[5.2.1.02,6]décane-3,5-dione [French] [ACD/IUPAC Name]
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7aS)- [ACD/Index Name]
1933728-56-3 [RN]
56-25-7 [RN]
Cantharidin [Wiki]
MFCD00134968 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 326.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 146.1±26.0 °C
Index of Refraction: 1.547
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 37.65
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 37.65
Polar Surface Area: 53 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 144.0±3.0 cm3

Click to predict properties on the Chemicalize site






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