ChemSpider 2D Image | 4-Hydroxy-5-oxido-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate | C14H4N2O8

4-Hydroxy-5-oxido-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate

  • Molecular FormulaC14H4N2O8
  • Average mass328.192 Da
  • Monoisotopic mass327.998962 Da
  • ChemSpider ID31150354

  • Charge - Charge

More details:

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

1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4,5-dihydroxy-, ion(4-) [ACD/Index Name]
4-Hydroxy-5-oxido-1H-pyrrolo[2,3-f]chinolin-2,7,9-tricarboxylat [German] [ACD/IUPAC Name]
4-Hydroxy-5-oxido-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate [ACD/IUPAC Name]
4-Hydroxy-5-oxydo-1H-pyrrolo[2,3-f]quinoléine-2,7,9-tricarboxylate [French] [ACD/IUPAC Name]
pyrroloquinoline quinol
pyrroloquinoline quinol(4-)
  • Miscellaneous

    • Chemical Class:

      A tricarboxylic acid anion obtained by deprotonation of the three carboxy groups as well as the 5-hydroxy group of pyrroloquinoline quinol; major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77660

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

Density:
Boiling Point: 855.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 471.2±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.08
ACD/LogD (pH 5.5): -3.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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