4-{[5-(Carboxymethyl)-1-Methyl-1H-Pyrrol-2-Yl]Carbonyl}Benzoic Acid

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Formula C15H13NO5
IUPAC Name 4-[5-(carboxymethyl)-1-methyl-pyrrole-2-carbonyl]benzoic acid
Molecular Mass 287.267 g·mol−1
Heat of Formation -702.2 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 326.95 Å 3
Surface Area 296.9 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-5-(4-carboxybenzoyl)-1h-pyrrole-2-acetic acid
  • 4-[5-(carboxymethyl)-1-methyl-pyrrol-2-yl]carbonylbenzoic acid
  • 4-[5-(carboxymethyl)-1-methyl-pyrrole-2-carbonyl]benzoic acid
  • 4-[5-(carboxymethyl)-1-methylpyrrole-2-carbonyl]benzoic acid
  • 4-[[5-(carboxymethyl)-1-methyl-2-pyrrolyl]-oxomethyl]benzoic acid
  • 5-(4-carboxybenzoyl)-1-methyl-1h-pyrrole-2-acetic acid
  • mecpac
CAS Number(s)
  • 53421-39-9
InChIKey JARNTMCBHAXPKM-UHFFFAOYSA-N
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