ChemSpider 2D Image | 3-(5-Isoquinolinylethynyl)-2,5-furandione | C15H7NO3

3-(5-Isoquinolinylethynyl)-2,5-furandione

  • Molecular FormulaC15H7NO3
  • Average mass249.221 Da
  • Monoisotopic mass249.042587 Da
  • ChemSpider ID95329576

More details:

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

2,5-Furandione, 3-[2-(5-isoquinolinyl)ethynyl]- [ACD/Index Name]
3-(5-Isochinolinylethinyl)-2,5-furandion [German] [ACD/IUPAC Name]
3-(5-Isoquinoléinyléthynyl)-2,5-furanedione [French] [ACD/IUPAC Name]
3-(5-Isoquinolinylethynyl)-2,5-furandione [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 471.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 239.0±28.7 °C
Index of Refraction: 1.707
Molar Refractivity: 67.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.07
ACD/KOC (pH 5.5): 259.88
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.32
ACD/KOC (pH 7.4): 278.98
Polar Surface Area: 56 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 173.3±5.0 cm3

Click to predict properties on the Chemicalize site


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