ChemSpider 2D Image | 3-(3-Hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-olate | C16H11O5

3-(3-Hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-olate

  • Molecular FormulaC16H11O5
  • Average mass283.256 Da
  • Monoisotopic mass283.061188 Da
  • ChemSpider ID31150461

  • Charge - Charge

More details:

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

3-(3-Hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-olat [German] [ACD/IUPAC Name]
3-(3-Hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-olate [ACD/IUPAC Name]
3-(3-Hydroxy-4-méthoxyphényl)-4-oxo-4H-chromén-7-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-, ion(1-) [ACD/Index Name]
calycosin [Wiki]
calycosin(1-)
  • Miscellaneous

    • Chemical Class:

      A flavonoid oxoanion obtained by deprotonation of the hydroxy group at position 7 of calycosin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77992

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

Density:
Boiling Point: 536.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 205.7±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: 2.41
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.68
ACD/KOC (pH 5.5): 604.41
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 14.93
ACD/KOC (pH 7.4): 164.98
Polar Surface Area: 79 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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