ChemSpider 2D Image | 5-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenolate | C15H11O4

5-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenolate

  • Molecular FormulaC15H11O4
  • Average mass255.246 Da
  • Monoisotopic mass255.066284 Da
  • ChemSpider ID31150442

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, ion(1-), (2E)- [ACD/Index Name]
5-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenolat [German] [ACD/IUPAC Name]
5-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenolate [ACD/IUPAC Name]
5-Hydroxy-2-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]phénolate [French] [ACD/IUPAC Name]
5-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenolate
Isoliquiritigenin [Wiki]
isoliquiritigenin(1-)
  • Miscellaneous

    • Chemical Class:

      A phenolate anion obtained by deprotonation of the hydroxy group located at the position ortho to the carbonyl group of isoliquiritigenin. It is the major microspecies at pH 7.3 (accordin; g to Marvin v 6.2.0.). ChEBI CHEBI:77948
      A phenolate anion obtained by deprotonation of the hydroxy group located at the position ortho to the carbonyl group of isoliquiritigenin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77948

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

Density:
Boiling Point: 504.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 272.7±24.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 132.11
ACD/KOC (pH 5.5): 1142.36
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 57.61
ACD/KOC (pH 7.4): 498.19
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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