Urocanic acid

CAS Registry Number®

104-98-3

CAS Name

Urocanic acid

Molecular Formula

C6H6N2O2

Molecular Mass

138.12

Cite this Page

Urocanic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104-98-3 (retrieved 2024-11-23) (CAS RN: 104-98-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    225 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)

InChIKey

InChIKey=LOIYMIARKYCTBW-UHFFFAOYSA-N

SMILES

C(=CC(O)=O)C1=CN=CN1

Canonical SMILES

O=C(O)C=CC1=CN=CN1

Other Names for this Substance

  • 2-Propenoic acid, 3-(1H-imidazol-5-yl)-
  • Imidazole-4-acrylic acid
  • 2-Propenoic acid, 3-(1H-imidazol-4-yl)-
  • 3-(1H-Imidazol-5-yl)-2-propenoic acid
  • Urocanic acid

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