ChemSpider 2D Image | 4-Hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-olate | C18H11O6

4-Hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-olate

  • Molecular FormulaC18H11O6
  • Average mass323.277 Da
  • Monoisotopic mass323.056122 Da
  • ChemSpider ID128919676

  • Charge - Charge

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-, ion(1-) [ACD/Index Name]
4-Hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-olat [German] [ACD/IUPAC Name]
4-Hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-olate [ACD/IUPAC Name]
4-Hydroxy-2,5-bis(4-hydroxyphényl)-3,6-dioxo-1,4-cyclohexadién-1-olate [French] [ACD/IUPAC Name]
1(4),2(5),3(4)-trihydroxy-2(3),2(6)-dioxo-2(3),2(6)-dihydro[1(1),2(1):2(4),3(1)-terphenyl]-2(2)-olate
2-hydroxy-3,6-bis(4-hydroxyphenyl)-1,4-benzoquinone-5-olate
4,4'',5'-trihydroxy-3',6'-dioxo-3',6'-dihydro[1,1':4',1''-terphenyl]-2'-olate
Atromentin
atromentin(1-)
  • Miscellaneous

    • Chemical Class:

      An organic anion that is the conjugate base of atromentin, obtained from the deprotonation of one of the hydroxy groups of the 1,4-benzoquinone moiety. It is the major species at pH 7.3. ChEBI CHEBI:149642

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

Density:
Boiling Point: 651.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 361.7±28.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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