Lignin_cw_compound_264

Lignin_cw_compound_264 bmse010174 - Data

Lignin_cw_compound_264 synonyms

alpha,4-dihydroxy-3-methoxypropiophenone

Wikipedia:

Graphical representations:

lignin_cw_compound_264

View large 3D structure

Molecular Formula: C10H12O4

Natural Isotopic Abundance Mass: 196.19988

Mono-Isotopic Molecular Masses:

  • C12N14: 196.0735588736
  • C13N14: 206.1071072516
  • C12N15: 196.0735588736
  • C13N15: 206.1071072516

InChI string: InChI=1S/C10H12O4/c1-6(11)10(13)7-3-4-8(12)9(5-7)14-2/h3-6,11-12H,1-2H3/t6-/m0/s1

USDA_NMR_database: 264

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)