ChemSpider 2D Image | 3-[(3,5-Diethynylphenyl)ethynyl]-1,2-oxazole-5-carbaldehyde | C16H7NO2

3-[(3,5-Diethynylphenyl)ethynyl]-1,2-oxazole-5-carbaldehyde

  • Molecular FormulaC16H7NO2
  • Average mass245.232 Da
  • Monoisotopic mass245.047684 Da
  • ChemSpider ID98956001

More details:

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

3-[(3,5-Diethinylphenyl)ethinyl]-1,2-oxazol-5-carbaldehyd [German] [ACD/IUPAC Name]
3-[(3,5-Diethynylphenyl)ethynyl]-1,2-oxazole-5-carbaldehyde [ACD/IUPAC Name]
3-[(3,5-Diéthynylphényl)éthynyl]-1,2-oxazole-5-carbaldéhyde [French] [ACD/IUPAC Name]
5-Isoxazolecarboxaldehyde, 3-[2-(3,5-diethynylphenyl)ethynyl]- [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: 490.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 250.5±28.7 °C
Index of Refraction: 1.640
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.20
ACD/KOC (pH 5.5): 574.05
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.20
ACD/KOC (pH 7.4): 574.05
Polar Surface Area: 43 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 189.1±5.0 cm3

Click to predict properties on the Chemicalize site


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