ChemSpider 2D Image | 5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-olate | C15H9O5


  • Molecular FormulaC15H9O5
  • Average mass269.229 Da
  • Monoisotopic mass269.045532 Da
  • ChemSpider ID31150535
  • Charge - Charge

More details:

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

4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl-, ion(1-) [ACD/Index Name]
5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-olat [German] [ACD/IUPAC Name]
5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-olate [ACD/IUPAC Name]
5,6-Dihydroxy-4-oxo-2-phényl-4H-chromén-7-olate [French] [ACD/IUPAC Name]
Baicalein [Wiki]
  • Miscellaneous
    • Chemical Class:

      A flavonoid oxoanion obtained by deprotonation of the hydroxy group at position 7 of baicalein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:78324

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 575.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 225.3±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 95.84
ACD/KOC (pH 5.5): 860.80
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 4.39
ACD/KOC (pH 7.4): 39.46
Polar Surface Area: 90 Å2
Surface Tension:
Molar Volume:

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