3-Methyl-4-(1H-Pyrrol-1-Yl)Benzoic Acid

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Properties Simple | Detailed

Formula C12H11NO2
IUPAC Name 3-methyl-4-(2h-pyrrol-1-ium-2-ylium-1-yl)benzoic acid
Molecular Mass 201.221 g·mol−1
Heat of Formation -169.7 ± 16.7 kJ·mol−1
Dipole Moment 0.67 ± 1.08 D
Volume 242.94 Å 3
Surface Area 228.91 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-methyl-4-(1-pyrrolyl)benzoic acid
  • 3-methyl-4-pyrrol-1-yl-benzoic acid
  • 3-methyl-4-pyrrol-1-ylbenzoic acid
  • bas 13523710
InChIKey LJRWOXORJJQUAU-UHFFFAOYSA-N
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