ChemSpider 2D Image | 3-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-olate | C16H11O5

3-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-olate

  • Molecular FormulaC16H11O5
  • Average mass283.256 Da
  • Monoisotopic mass283.061188 Da
  • ChemSpider ID128919670

  • Charge - Charge

More details:

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

3-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-olat [German] [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-olate [ACD/IUPAC Name]
3-(4-Hydroxyphényl)-7-méthoxy-4-oxo-4H-chromén-5-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-, ion(1-) [ACD/Index Name]
3-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-5-olate
Prunetin [Wiki]
prunetin-5-olate
  • Miscellaneous

    • Chemical Class:

      A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of prunetin. It is the major microspecies at pH 7.3 ChEBI CHEBI:147403

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

Density:
Boiling Point: 546.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 209.7±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 187.95
ACD/KOC (pH 5.5): 1425.29
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 18.40
ACD/KOC (pH 7.4): 139.55
Polar Surface Area: 79 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement