ChemSpider 2D Image | 6-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-2-oxo-2H-pyran-4-olate | C13H9O5

6-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-2-oxo-2H-pyran-4-olate

  • Molecular FormulaC13H9O5
  • Average mass245.208 Da
  • Monoisotopic mass245.045547 Da
  • ChemSpider ID128919718

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

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-, ion(1-) [ACD/Index Name]
6-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-2-oxo-2H-pyran-4-olat [German] [ACD/IUPAC Name]
6-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-2-oxo-2H-pyran-4-olate [ACD/IUPAC Name]
6-[(E)-2-(3,4-Dihydroxyphényl)vinyl]-2-oxo-2H-pyran-4-olate [French] [ACD/IUPAC Name]
6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-oxo-2H-pyran-4-olate
Hispidin [Wiki]
hispidin anion
hispidin(1-)
  • Miscellaneous

    • Chemical Class:

      An organic anion that is the conjugate base of hispidin resulting from the deprotonation of the 4-hydroxy group; major species at pH 7.3. ChEBI CHEBI:190288

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

Density:
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:
Molar Refractivity:
#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: 90 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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