ChemSpider 2D Image | 3,4-Di(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate | C22H13N3O4

3,4-Di(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate

  • Molecular FormulaC22H13N3O4
  • Average mass383.357 Da
  • Monoisotopic mass383.091705 Da
  • ChemSpider ID58827290

  • Charge - Charge

More details:

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

1H-Pyrrole-2,5-dicarboxylic acid, 3,4-di-1H-indol-3-yl-, ion(2-) [ACD/Index Name]
3,4-Di(1H-indol-3-yl)-1H-pyrrol-2,5-dicarboxylat [German] [ACD/IUPAC Name]
3,4-Di(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate [ACD/IUPAC Name]
3,4-Di(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate [French] [ACD/IUPAC Name]
chromopyrrolate
chromopyrrolate dianion
chromopyrrolate(2-)
  • Miscellaneous

    • Chemical Class:

      A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of chromopyrrolic acid; major microspecies at pH 7.3. ChEBI CHEBI:133898

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

Density:
Boiling Point: 737.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 399.5±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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