Imidazole-4-Acetate

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Properties Simple | Detailed

Formula C5H6N2O2
IUPAC Name 2-imidazol-3-ium-4-ylium-4-ylacetic acid
Molecular Mass 126.113 g·mol−1
Heat of Formation -271.5 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 142.49 Å 3
Surface Area 151.05 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazol-4-ylacetic acid
  • 1h-imidazole-4-acetic acid
  • 1h-imidazole-4-acetic acid (9ci)
  • 2-(3h-imidazol-4-yl)acetic acid
  • 2-(3h-imidazol-4-yl)ethanoic acid
  • 4(5)-imidazoleacetate
  • 4-imidazoleacetate
  • 4-imidazoleacetic acid
  • biomol-nt_000244
  • bpbio1_000793
  • imac
  • imidazol-4-ylacetic acid
  • imidazole-4-acetic acid (8ci)
  • imidazoleacetic acid
  • imidazoleacetic acid (van)
  • imidazolyl-4-acetic acid
  • izc
  • pdsp1_000242
  • pdsp2_000241
CAS Number(s)
  • 645-65-8
InChIKey PRJKNHOMHKJCEJ-UHFFFAOYSA-N
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