3-(4-Acetyl-5-Methyl-1H-Pyrrol-3-Yl)Propanoic Acid

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Properties Simple | Detailed

Formula C10H13NO3
IUPAC Name 3-(4-acetyl-5-methyl-pyrrol-1-ium-5-ylium-3-yl)propanoic acid
Molecular Mass 195.215 g·mol−1
Heat of Formation -547.8 ± 16.7 kJ·mol−1
Dipole Moment 7.03 ± 1.08 D
Volume 237.75 Å 3
Surface Area 226.07 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 3.17 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-3-propanoic acid, 4-acetyl-5-methyl-
  • 1h-pyrrole-3-propanoic acid, 4-acetyl-5-methyl-, (5'alpha,10alpha)-
  • 2-methyl-3-acetyl-4-(3-propionic acid pentafluorobenzyl ester)pyrrole
  • 3-(4-acetyl-5-methyl-1h-pyrrol-3-yl)propionic acid
  • 3-(4-ethanoyl-5-methyl-1h-pyrrol-3-yl)propanoic acid
  • pbmpp
  • pentafluorobenzyl 2-methyl-3-acetyl-4-(3-propionate)pyrrole
CAS Number(s)
  • 90663-63-1
InChIKey PNZIZPJYPBTHTM-UHFFFAOYSA-N
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