ChemSpider 2D Image | 6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-pyranone | C13H10O5

6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-pyranone

  • Molecular FormulaC13H10O5
  • Average mass246.215 Da
  • Monoisotopic mass246.052826 Da
  • ChemSpider ID65321927

More details:

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

2H-Pyran-2-one, 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy- [ACD/Index Name]
6-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one [ACD/IUPAC Name]
6-[(E)-2-(3,4-Dihydroxyphényl)vinyl]-4-hydroxy-2H-pyran-2-one [French] [ACD/IUPAC Name]
6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-pyranone

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

Density: 1.7±0.1 g/cm3
Boiling Point: 500.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 198.1±23.6 °C
Index of Refraction: 1.854
Molar Refractivity: 66.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.93
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 111.7±3.0 dyne/cm
Molar Volume: 148.5±3.0 cm3

Click to predict properties on the Chemicalize site


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