Acetophenone

Acetophenone bmse000286 - Data bmst000215 - Theory

Acetophenone synonyms

Methyl phenyl ketone; ACETOPHENONE; Acetylbenzol; Benzoyl methide; 1-Phenyl-1-ethanone; Hypnone; Acetofenon [Czech]; Acetylbenzene; Phenyl methyl ketone; Ethanone, 1-phenyl-; Acetophenon

Wikipedia:

Graphical representations:

Acetophenone

View large 3D structure

Molecular Formula: C8H8O

Natural Isotopic Abundance Mass: 120.1485200000

Mono-Isotopic Molecular Masses:

  • C12N14: 120.057514879
  • C13N14: 128.084353581
  • C12N15: 120.057514879
  • C13N15: 128.084353581

InChI string: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

IUPAC: 1-phenylethanone

PubChem Compound (CID): 7410
KEGG Compound ID: C07113
ChemIDplus: 000098862
CAS Registry number: 98-86-2
EINECS: 202-708-7
CCRIS: 1341
HSDB: 969
FEMA No.: 2009
PDB Compound ID: AC0

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)