ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-olate | C16H11O8

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-olate

  • Molecular FormulaC16H11O8
  • Average mass331.254 Da
  • Monoisotopic mass331.045929 Da
  • ChemSpider ID128920745

  • Charge - Charge

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-olat [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-olate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-5,7-dihydroxy-6-méthoxy-4-oxo-4H-chromén-3-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-, ion(1-) [ACD/Index Name]
6-methoxyquercetin
Patuletin [Wiki]
Petuletin
Quercetagetin 6-methyl ether

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

Density:
Boiling Point: 684.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 258.9±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.67
ACD/KOC (pH 5.5): 142.12
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.07
Polar Surface Area: 140 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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