ChemSpider 2D Image | 3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-olate | C15H9O4

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-olate

  • Molecular FormulaC15H9O4
  • Average mass253.230 Da
  • Monoisotopic mass253.050629 Da
  • ChemSpider ID31150382
  • Charge - Charge


More details:






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

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-olat [German] [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-olate [ACD/IUPAC Name]
3-(4-Hydroxyphényl)-4-oxo-4H-chromén-7-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-, ion(1-) [ACD/Index Name]
Daidzein [Wiki]
daidzein(1-)
  • Miscellaneous
    • Chemical Class:

      A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of daidzein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77764

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

Density:
Boiling Point: 512.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 201.2±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.60
ACD/KOC (pH 5.5): 882.49
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 28.45
ACD/KOC (pH 7.4): 271.15
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

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