Pyrrole 2-Carboxylate

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Properties Simple | Detailed

Formula C5H5NO2
IUPAC Name pyrrol-1-ium-2-ylium-2-carboxylic acid
Molecular Mass 111.099 g·mol−1
Heat of Formation -263.8 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 125.95 Å 3
Surface Area 137.21 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrrole-2-carboxylic acid
  • 1h-pyrrole-2-carboxylic acid (9ci)
  • 2-minaline
  • 2-pyrrolecarboxylic acid
  • ac-907/25014066
  • minalin
  • minaline
  • pyc
  • pyrrole-2-carboxylic acid
CAS Number(s)
  • 634-97-9
InChIKey WRHZVMBBRYBTKZ-UHFFFAOYSA-N
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