Found 9 results

Search term: LQOPXMZSGSTGMF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,2R,6S,7S)-4-Oxatricyclo[5.2.1.0~2,6~]decane-3,5-dione | C9H10O3

(1S,2R,6S,7S)-4-Oxatricyclo[5.2.1.02,6]decane-3,5-dione

  • Molecular FormulaC9H10O3
  • Average mass166.174 Da
  • Monoisotopic mass166.062988 Da
  • ChemSpider ID57618168

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R,6S,7S)-4-Oxatricyclo[5.2.1.02,6]decan-3,5-dion [German] [ACD/IUPAC Name]
(1S,2R,6S,7S)-4-Oxatricyclo[5.2.1.02,6]decane-3,5-dione [ACD/IUPAC Name]
(1S,2R,6S,7S)-4-Oxatricyclo[5.2.1.02,6]décane-3,5-dione [French] [ACD/IUPAC Name]
4,7-Methanoisobenzofuran-1,3-dione, hexahydro-, (3aR,4S,7S,7aS)- [ACD/Index Name]
1932483-38-9 [RN]
2,3-Norbornanedicarboxylic anhydride
6004-79-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 325.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 158.9±16.5 °C
Index of Refraction: 1.552
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.56
ACD/KOC (pH 5.5): 47.77
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 47.77
Polar Surface Area: 43 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 123.5±3.0 cm3

Click to predict properties on the Chemicalize site


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