ChemSpider 2D Image | (2Z)-2-(3,4-Dihydroxybenzylidene)-4-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-olate | C15H9O6


  • Molecular FormulaC15H9O6
  • Average mass285.229 Da
  • Monoisotopic mass285.040466 Da
  • ChemSpider ID26331152
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(3,4-Dihydroxybenzyliden)-4-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-olat [German] [ACD/IUPAC Name]
(2Z)-2-(3,4-Dihydroxybenzylidene)-4-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-olate [ACD/IUPAC Name]
(2Z)-2-(3,4-Dihydroxybenzylidène)-4-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-olate [French] [ACD/IUPAC Name]
3(2H)-Benzofuranone, 2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-, ion(1-), (2Z)- [ACD/Index Name]
Aureusidin [Wiki]
  • Miscellaneous
    • Chemical Class:

      An organic anion that is the conjugate base of aureusidin, arising from selective deprotonation of the hydroxy group at position 6 of the benzofuran moiety; major species at pH 7.3. ChEBI CHEBI:58393

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

Boiling Point: 628.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 244.4±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.19
ACD/KOC (pH 5.5): 326.07
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 4.58
ACD/KOC (pH 7.4): 64.39
Polar Surface Area: 110 Å2
Surface Tension:
Molar Volume:

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