Marvin  04290911212D          

 13 14  0  0  0  0            999 V2000
   -2.2982    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0127    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7272    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7272   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0127   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2982   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5838   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5838    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1548    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5597    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1548    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
> <ID>
CHEBI:52364

> <NAME>
2-acetylnaphthalene

> <DEFINITION>
A naphthyl ketone that is naphthalene substituted at position 2 by an acetyl group.

> <STAR>
3

> <SYNONYM>
Methyl beta-naphthyl ketone; Methyl 2-naphthyl ketone; beta-acetonaphthone; beta-acetonaphthalene; 2-Naphthyl methyl ketone; 2-Acetonaphthone

> <IUPAC_NAME>
1-(naphthalen-2-yl)ethanone

> <FORMULA>
C12H10O

> <MASS>
170.20720

> <MONOISOTOPIC_MASS>
170.07316

> <CHARGE>
0

> <SMILES>
CC(=O)c1ccc2ccccc2c1

> <INCHI>
InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3

> <INCHIKEY>
XSAYZAUNJMRRIR-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
744965

> <CAS_REGISTRY_NUMBER>
93-08-3

> <REAXYS_REGISTRY_NUMBER>
774965

> <CHEMIDPLUS>
93-08-3

> <NIST_CHEMISTRY_WEBBOOK>
93-08-3

> <PUBMED_CITATION>
22040063; 23284438

$$$$