Trans-Cinnamic Acid
Trans_cinnamic_acid synonyms
Graphical representations:
View large 3D structure
Molecular Formula: C9H8O2
Natural Isotopic Abundance Mass: 148.1586200000
Mono-Isotopic Molecular Masses:
- C12N14: 148.052429501
- C13N14: 157.082623041
- C12N15: 148.052429501
- C13N15: 157.082623041
InChI string: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
IUPAC: (E)-3-phenylprop-2-enoic acid
PubChem Compound (CID): 444539KEGG Compound ID: C00423
CAS Registry number: 140-10-3
ChEBI: 15669
PDB Compound ID: TCA
Reference 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)