ChemSpider 2D Image | 5-[3-(1,2-Oxazol-3-yl)-1-propyn-1-yl]-2-benzofuran-1,3-dione | C14H7NO4

5-[3-(1,2-Oxazol-3-yl)-1-propyn-1-yl]-2-benzofuran-1,3-dione

  • Molecular FormulaC14H7NO4
  • Average mass253.210 Da
  • Monoisotopic mass253.037506 Da
  • ChemSpider ID83896669

More details:

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

1,3-Isobenzofurandione, 5-[3-(3-isoxazolyl)-1-propyn-1-yl]- [ACD/Index Name]
5-[3-(1,2-Oxazol-3-yl)-1-propin-1-yl]-2-benzofuran-1,3-dion [German] [ACD/IUPAC Name]
5-[3-(1,2-Oxazol-3-yl)-1-propyn-1-yl]-2-benzofuran-1,3-dione [ACD/IUPAC Name]
5-[3-(1,2-Oxazol-3-yl)-1-propyn-1-yl]-2-benzofurane-1,3-dione [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 515.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.8±27.3 °C
Index of Refraction: 1.654
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.16
ACD/KOC (pH 5.5): 277.27
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.16
ACD/KOC (pH 7.4): 277.27
Polar Surface Area: 69 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 171.4±5.0 cm3

Click to predict properties on the Chemicalize site


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