ChemSpider 2D Image | 3-(2,4-Dihydroxyphenyl)-4-oxo-4H-chromen-7-olate | C15H9O5

3-(2,4-Dihydroxyphenyl)-4-oxo-4H-chromen-7-olate

  • Molecular FormulaC15H9O5
  • Average mass269.229 Da
  • Monoisotopic mass269.045532 Da
  • ChemSpider ID31150392
  • Charge - Charge


More details:






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

3-(2,4-Dihydroxyphenyl)-4-oxo-4H-chromen-7-olat [German] [ACD/IUPAC Name]
3-(2,4-Dihydroxyphenyl)-4-oxo-4H-chromen-7-olate [ACD/IUPAC Name]
3-(2,4-Dihydroxyphényl)-4-oxo-4H-chromén-7-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-7-hydroxy-, ion(1-) [ACD/Index Name]
2'-hydroxydaidzein
2'-hydroxydaidzein(1-)
  • Miscellaneous
    • Chemical Class:

      A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of 2'-hydroxydaidzein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77800

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

Density:
Boiling Point: 575.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 225.2±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: 2.81
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.37
ACD/KOC (pH 5.5): 476.68
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 9.09
ACD/KOC (pH 7.4): 110.01
Polar Surface Area: 90 Å2
Polarizability:
Surface Tension:
Molar Volume:

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