bmse000286 Acetophenone at BMRB

Acetophenone

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

Molecular Formula: C8 H8 O
Natural Isotopic Abundance Mass: 120.1485200000
Mono-Isotopic Molecular Masses: C12N14: 120.057514879; C13N14: 128.084353581; C12N15: 120.057514879; C13N15: 128.084353581

Acetophenone

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

canonical SMILES:
CC(=O)C1=CC=CC=C1

IUPAC: IUPAC openeye: IUPAC cas: IUPAC systematic
1-phenylethanone

IUPAC traditional
acetophenone

PubChem Substance (SID):   85165090   150475   9324
PubChem Compound (CID):   7410
KEGG: Compound ID   C07113
CAS Registry IDs:   98-86-2
PDB Chemical Component   AC0
Miscellaneous Databases and IDs:   ChemIDplus 000098862   EINECS 202-708-7   CCRIS 1341   HSDB 969   FEMA No. 2009

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.