Acetosyringone

Acetosyringone bmse000576 - Data bmse010032 - Data

Acetosyringone synonyms

4-hydroxy-3,5-dimethoxyacetophenone; Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-; Acetosyringone; Acetophenone, 4'-hydroxy-3',5'-dimethoxy-; 1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one; 3',5'-Dimethoxy-4'-hydroxyacetophenone; 4'-Hydroxy-3',5'-dimethoxyacetophenone

Wikipedia:

Graphical representations:

acetosyringone

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)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3

PubChem Compound (CID): 17198
CAS Registry number: 2478-38-8
Sigma-Aldrich: 38766_FLUKA
ChEBI: CHEBI:2404
ZINC: ZINC00156899
NMRShiftDB: 20040772
KEGG Compound ID: C10664
NIST: 887033070
MMCD: cq_07329
MDL: MFCD00008748

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)