Lignin_cw_compound_192

Lignin_cw_compound_192 bmse010119 - Data

Lignin_cw_compound_192 synonyms

4-acetoxy-3-methoxy benzoic acid

Wikipedia:

Graphical representations:

lignin_cw_compound_192

View large 3D structure

Molecular Formula: C10H10O5

Natural Isotopic Abundance Mass: 210.1834

Mono-Isotopic Molecular Masses:

  • C12N14: 210.0528234315
  • C13N14: 220.0863718095
  • C12N15: 210.0528234315
  • C13N15: 220.0863718095

InChI string: InChI=1S/C10H10O5/c1-6(11)15-8-4-3-7(10(12)13)5-9(8)14-2/h3-5H,1-2H3,(H,12,13)

USDA_NMR_database: 192

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)