ChemSpider 2D Image | 5-[(2-Hydroxy-5-pyrimidinyl)ethynyl]-2-benzofuran-1,3-dione | C14H6N2O4

5-[(2-Hydroxy-5-pyrimidinyl)ethynyl]-2-benzofuran-1,3-dione

  • Molecular FormulaC14H6N2O4
  • Average mass266.208 Da
  • Monoisotopic mass266.032745 Da
  • ChemSpider ID91026265

More details:

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

1,3-Isobenzofurandione, 5-[2-(2-hydroxy-5-pyrimidinyl)ethynyl]- [ACD/Index Name]
5-[(2-Hydroxy-5-pyrimidinyl)ethinyl]-2-benzofuran-1,3-dion [German] [ACD/IUPAC Name]
5-[(2-Hydroxy-5-pyrimidinyl)ethynyl]-2-benzofuran-1,3-dione [ACD/IUPAC Name]
5-[(2-Hydroxy-5-pyrimidinyl)éthynyl]-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: 1.6±0.1 g/cm3
Boiling Point: 640.4±61.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 341.1±33.2 °C
Index of Refraction: 1.732
Molar Refractivity: 65.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 46.07
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 32.38
Polar Surface Area: 89 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 162.6±5.0 cm3

Click to predict properties on the Chemicalize site


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