1H-Pyrrole-2,3,5-Tricarboxylic Acid

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Properties Simple | Detailed

Formula C7H5NO6
IUPAC Name pyrrol-1-ium-2-ylium-2,3,5-tricarboxylic acid
Molecular Mass 199.118 g·mol−1
Heat of Formation -978.9 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 201.68 Å 3
Surface Area 201.01 Å 2
HOMO Energy -10.49 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,5-ptca
  • pyrrole-2,3,5-tricarboxylic acid
CAS Number(s)
  • 945-32-4
InChIKey UGSAVTSXHXRENH-UHFFFAOYSA-N
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