ChemSpider 2D Image | 4-[(3,5-Diethynylphenyl)ethynyl]-1,2-oxazol-3-ol | C15H7NO2

4-[(3,5-Diethynylphenyl)ethynyl]-1,2-oxazol-3-ol

  • Molecular FormulaC15H7NO2
  • Average mass233.222 Da
  • Monoisotopic mass233.047684 Da
  • ChemSpider ID91115003

More details:

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

3-Isoxazolol, 4-[2-(3,5-diethynylphenyl)ethynyl]- [ACD/Index Name]
4-[(3,5-Diethinylphenyl)ethinyl]-1,2-oxazol-3-ol [German] [ACD/IUPAC Name]
4-[(3,5-Diethynylphenyl)ethynyl]-1,2-oxazol-3-ol [ACD/IUPAC Name]
4-[(3,5-Diéthynylphényl)éthynyl]-1,2-oxazol-3-ol [French] [ACD/IUPAC 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: 469.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 237.6±28.7 °C
Index of Refraction: 1.670
Molar Refractivity: 64.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.05
ACD/KOC (pH 5.5): 726.83
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 16.06
ACD/KOC (pH 7.4): 164.34
Polar Surface Area: 46 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 79.2±5.0 dyne/cm
Molar Volume: 173.1±5.0 cm3

Click to predict properties on the Chemicalize site


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