Urocanic acid; Imidazole-4-acrylic acid; 5-Imidazoleacrylic acid; 4-Imidazoleacrylic acid; UROCANIC ACID; BRN 0081405; 3-Imidazol-4-ylacrylic acid; Imidazoleacrylic acid; 2-Propenoic acid, 3-(1H-imidazol-4-yl)-; 3-(1H-Imidazol-4-yl)-2-propenoic acid; Urocaninic acid
Molecular Formula: C6H6N2O2
Natural Isotopic Abundance Mass: 138.1240400000
Mono-Isotopic Molecular Masses:
InChI string: InChI=1/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/f/h8-9H
IUPAC: 3-(3H-imidazol-4-yl)prop-2-enoic acid
PubChem Compound (CID): 1178Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)