ChemSpider 2D Image | 7-Hydroxy-1,3,6-trioxo-3,6-dihydro-1H-cyclohepta[c]furan-4-olate | C9H3O6

7-Hydroxy-1,3,6-trioxo-3,6-dihydro-1H-cyclohepta[c]furan-4-olate

  • Molecular FormulaC9H3O6
  • Average mass207.117 Da
  • Monoisotopic mass206.993515 Da
  • ChemSpider ID26330910

  • Charge - Charge

More details:

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

1H-Cyclohepta[c]furan-1,3,6-trione, 4,7-dihydroxy-, ion(1-) [ACD/Index Name]
7-Hydroxy-1,3,6-trioxo-3,6-dihydro-1H-cyclohepta[c]furan-4-olat [German] [ACD/IUPAC Name]
7-Hydroxy-1,3,6-trioxo-3,6-dihydro-1H-cyclohepta[c]furan-4-olate [ACD/IUPAC Name]
7-Hydroxy-1,3,6-trioxo-3,6-dihydro-1H-cyclohepta[c]furan-4-olate [French] [ACD/IUPAC Name]
7-hydroxy-1,3,6-trioxo-1H,3H,6H-cyclohepta[c]furan-4-olate
stipitaton-4-olate
Stipitatonate
  • Miscellaneous

    • Chemical Class:

      Conjugate base of stipitatonic acid arising from selective deprotonation of the 4-hydroxy group; major species at pH 7.3. ChEBI CHEBI:57775

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

Density:
Boiling Point: 393.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.3±6.0 kJ/mol
Flash Point: 165.5±21.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -2.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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