ChemSpider 2D Image | 2-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-3,5-dihydroxyphenolate | C15H11O6

2-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-3,5-dihydroxyphenolate

  • Molecular FormulaC15H11O6
  • Average mass287.245 Da
  • Monoisotopic mass287.056122 Da
  • ChemSpider ID31150341

  • Charge - Charge

More details:

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

2-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-3,5-dihydroxyphenolat [German] [ACD/IUPAC Name]
2-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-3,5-dihydroxyphenolate [ACD/IUPAC Name]
2-[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]-3,5-dihydroxyphénolate [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-, ion(1-), (2E)- [ACD/Index Name]
2',3,4,4',6'-Pentahydroxychalcone [ACD/IUPAC Name]
2',3,4,4',6'-pentahydroxychalcone(1-)
2-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-3,5-dihydroxyphenolate
  • Miscellaneous

    • Chemical Class:

      A phenolate anion that is the conjugate base of 2',3,4,4',6'-pentahydroxychalcone, obtained by selective deprotonation of the phenolic hydroxy group at position 2'; major species at pH 7.3. ChEBI CHEBI:77621

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

Density:
Boiling Point: 595.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 328.2±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 38.52
ACD/KOC (pH 5.5): 468.11
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 6.88
ACD/KOC (pH 7.4): 83.67
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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