Urocanic Acid

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Properties Simple | Detailed

Formula C6H6N2O2
IUPAC Name (e)-3-(1h-imidazol-5-yl)prop-2-enoic acid
Molecular Mass 138.124 g·mol−1
Heat of Formation -177.3 ± 16.7 kJ·mol−1
Dipole Moment 5.64 ± 1.08 D
Volume 159.73 Å 3
Surface Area 169.12 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry Cs
Synonyms
  • (2e)-3-(1h-imidazol-4-yl)acrylic acid
  • (2e)-3-(1h-imidazol-4-yl)prop-2-enoic acid
  • (e)-3-(1h-imidazol-4-yl)-2-propenoic acid
  • (e)-3-(3h-imidazol-4-yl)acrylic acid
  • (e)-3-(3h-imidazol-4-yl)prop-2-enoic acid
  • 2-propenoic acid, 3-(1h-imidazol-4-yl)-
  • 2-propenoic acid, 3-(1h-imidazol-4-yl)-, (e)-
  • 3-(1h-imidazol-4-yl)-2-propenoic acid
  • 3-(1h-imidazol-4-yl)prop-2-enoic acid
  • 3-(3h-imidazol-4-yl)acrylic acid
  • 3-(3h-imidazol-4-yl)prop-2-enoic acid
  • 3-(4-imidazolyl)acrylic acid
  • 3-imidazol-4-ylacrylic acid
  • 4-imidazoleacrylic acid
  • 5-imidazoleacrylic acid
  • bb_nc-0360
  • imidazole-4-acrylic acid
  • imidazole-4-acrylic acid, (z)-
  • imidazole-4-propene-2-enoic acid [urocanic acid]
  • imidazoleacrylic acid
  • trans-urocanic acid
  • urocanate
  • urocanic acid, cis
  • urocaninic acid
CAS Number(s)
  • 7699-36-7
  • 3465-72-3
  • 104-98-3
InChIKey LOIYMIARKYCTBW-OWOJBTEDSA-N
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