ChemSpider 2D Image | 4-[3-(2,4-Dihydroxyphenyl)-3-oxopropanoyl]phenolate | C15H11O5


  • Molecular FormulaC15H11O5
  • Average mass271.245 Da
  • Monoisotopic mass271.061188 Da
  • ChemSpider ID31150375
  • Charge - Charge

More details:

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

1,3-Propanedione, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, ion(1-) [ACD/Index Name]
4-[3-(2,4-Dihydroxyphenyl)-3-oxopropanoyl]phenolat [German] [ACD/IUPAC Name]
4-[3-(2,4-Dihydroxyphenyl)-3-oxopropanoyl]phenolate [ACD/IUPAC Name]
4-[3-(2,4-Dihydroxyphényl)-3-oxopropanoyl]phénolate [French] [ACD/IUPAC Name]
  • Miscellaneous
    • Chemical Class:

      A phenolate anion obtained by deprotonation of the 4'-hydroxy group of licodione. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77711

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

Boiling Point: 569.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 312.0±23.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.51
ACD/KOC (pH 5.5): 880.18
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 51.84
ACD/KOC (pH 7.4): 498.62
Polar Surface Area: 98 Å2
Surface Tension:
Molar Volume:

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