ChemSpider 2D Image | (1R,7R)-4-Oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione | C9H8O3

(1R,7R)-4-Oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

  • Molecular FormulaC9H8O3
  • Average mass164.158 Da
  • Monoisotopic mass164.047348 Da
  • ChemSpider ID26564226
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

(1R,7R)-4-Oxatricyclo[5.2.1.02,6]dec-8-en-3,5-dion [German] [ACD/IUPAC Name]
(1R,7R)-4-Oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione [ACD/IUPAC Name]
(1R,7R)-4-Oxatricyclo[5.2.1.02,6]déc-8-ène-3,5-dione [French] [ACD/IUPAC Name]
4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (4R,7R)- [ACD/Index Name]
Cis-5-norbornene-exo-2,3-dicarboxylic anhydride

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

Density: 1.4±0.1 g/cm3
Boiling Point: 331.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.4±3.0 kJ/mol
Flash Point: 163.8±25.1 °C
Index of Refraction: 1.584
Molar Refractivity: 39.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.04
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.02
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.02
Polar Surface Area: 43 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 116.8±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form