4-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-1H-Pyrrole-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C15H21NO2
IUPAC Name 3-[(2e)-3,7-dimethylocta-2,6-dienyl]-2h-pyrrol-1-ium-2-ylium-5-carboxylic acid
Molecular Mass 247.333 g·mol−1
Heat of Formation -339.5 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 334.83 Å 3
Surface Area 270.24 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-2-carboxylic acid, 4-(3,7-dimethyl-2,6-octadienyl)-, (e)-
  • 4-(3,7-dimethyl-2,6-octadienyl)-1h-pyrrole-2-carboxylic acid (e)-
  • 4-(3,7-dimethylocta-2,6-dienyl)-1h-pyrrole-2-carboxylic acid
  • 4-[(2e)-3,7-dimethylocta-2,6-dienyl]-1h-pyrrole-2-carboxylic acid
  • 4-geranylpyrrole-2-carboxylic acid
  • ec 40
  • pyrrolostatin
CAS Number(s)
  • 144314-68-1
InChIKey UEQIBCOZMSTCSW-KPKJPENVSA-N
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