ChemSpider 2D Image | (1S,5R,6S,7R)-4-Oxo-3,10-dioxatricyclo[5.2.1.0~1,5~]decane-6-carboxylate | C9H9O5

(1S,5R,6S,7R)-4-Oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate

  • Molecular FormulaC9H9O5
  • Average mass197.165 Da
  • Monoisotopic mass197.045547 Da
  • ChemSpider ID116084105

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,5R,6S,7R)-4-Oxo-3,10-dioxatricyclo[5.2.1.01,5]decan-6-carboxylat [German] [ACD/IUPAC Name]
(1S,5R,6S,7R)-4-Oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate [ACD/IUPAC Name]
(1S,5R,6S,7R)-4-Oxo-3,10-dioxatricyclo[5.2.1.01,5]décane-6-carboxylate [French] [ACD/IUPAC Name]
3H-3a,6-Epoxyisobenzofuran-7-carboxylic acid, hexahydro-1-oxo-, ion(1-), (3aS,6R,7S,7aR)- [ACD/Index Name]

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

ZINC04568228 [DBID]

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

Density:
Boiling Point: 499.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 211.4±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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