Sinapinic Acid

Sinapinic Acid bmse000594 - Data bmse010209 - Data

Sinapinic_acid synonyms

Sinapinic acid; 3,5-dimethoxy-4-hydroxycinnamic acid

Wikipedia:

Graphical representations:

sinapinic_acid

View large 3D structure

Molecular Formula: C11H12O5

Natural Isotopic Abundance Mass: 224.20998

Mono-Isotopic Molecular Masses:

  • C12N14: 224.0684734957
  • C13N14: 235.1053767115
  • C12N15: 224.0684734957
  • C13N15: 235.1053767115

InChI string: InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+/f/h12H

USDA_NMR_database: 46
PDB Compound ID: SXX YCP

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)