138872
  CDK     0910211424

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.3645   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  2  0  0  0  0 
  3  5  2  0  0  0  0 
  3  8  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  7  2  0  0  0  0 
  8 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:179151

> <NAME>
2-Acetyl-6-methylpyridine

> <STAR>
2

> <IUPAC_NAME>
1-(6-methylpyridin-2-yl)ethanone

> <FORMULA>
C8H9NO

> <MASS>
135.166

> <MONOISOTOPIC_MASS>
135.06841

> <CHARGE>
0

> <SMILES>
O=C(C=1N=C(C=CC1)C)C

> <INCHI>
InChI=1S/C8H9NO/c1-6-4-3-5-8(9-6)7(2)10/h3-5H,1-2H3

> <INCHIKEY>
FPQMUQPPAYCAME-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
6940-57-4

> <CHEMIDPLUS>
6940-57-4

$$$$