Acetovanillone

Acetovanillone bmse000584 - Data bmse010031 - Data

Acetovanillone synonyms

4'-hydroxy-3'-methoxyacetophenone; 4-Acetyl-2-methoxyphenol; 1-(4-hydroxy-3-methoxyphenyl)ethan-1-one; Acetovanillone; Acetophenone, 4'-hydroxy-3'-methoxy-; Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-; 4'-Hydroxy-3'-methoxyacetophenone; Acetoguaiacone; 4-Hydroxy-3-methoxyphenyl methyl ketone; Apocynin

Wikipedia:

Graphical representations:

acetovanillone

View large 3D structure

Molecular Formula: C9H10O3

Natural Isotopic Abundance Mass: 166.1739

Mono-Isotopic Molecular Masses:

  • C12N14: 166.0629941873
  • C13N14: 175.0931877275
  • C12N15: 166.0629941873
  • C13N15: 175.0931877275

InChI string: InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3

PubChem Compound (CID): 2214
CAS Registry number: 498-02-2
Sigma-Aldrich: W508454_ALDRICH
ChEBI: CHEBI:2781
ChemSpider: 10538201
KEGG Compound ID: C11380
ZINC: ZINC00162515
NIST Chemistry WebBook: 3489687771
MMCD: cq_08019
MDL: MFCD00008747

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)