ChemSpider 2D Image | 3-[(3,5-Diethynylphenyl)ethynyl]-5,6-dihydro-7H-cyclopenta[b]pyridin-7-one | C20H11NO

3-[(3,5-Diethynylphenyl)ethynyl]-5,6-dihydro-7H-cyclopenta[b]pyridin-7-one

  • Molecular FormulaC20H11NO
  • Average mass281.307 Da
  • Monoisotopic mass281.084076 Da
  • ChemSpider ID87572021

More details:

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

3-[(3,5-Diethinylphenyl)ethinyl]-5,6-dihydro-7H-cyclopenta[b]pyridin-7-on [German] [ACD/IUPAC Name]
3-[(3,5-Diethynylphenyl)ethynyl]-5,6-dihydro-7H-cyclopenta[b]pyridin-7-one [ACD/IUPAC Name]
3-[(3,5-Diéthynylphényl)éthynyl]-5,6-dihydro-7H-cyclopenta[b]pyridin-7-one [French] [ACD/IUPAC Name]
7H-Cyclopenta[b]pyridin-7-one, 3-[2-(3,5-diethynylphenyl)ethynyl]-5,6-dihydro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 273.1±37.5 °C
Index of Refraction: 1.675
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 458.57
ACD/KOC (pH 5.5): 2796.49
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 458.64
ACD/KOC (pH 7.4): 2796.96
Polar Surface Area: 30 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 219.8±5.0 cm3

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