121731
  CDK     1106201723

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    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
    2.3645   -1.2375    0.0000 C   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
    3.0790   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  2  0  0  0  0 
  3  7  1  0  0  0  0 
  4  6  2  0  0  0  0 
  5  6  1  0  0  0  0 
M  END
> <ID>
CHEBI:165805

> <NAME>
1-Methyl-1,3-cyclohexadiene

> <STAR>
2

> <IUPAC_NAME>
1-methylcyclohexa-1,3-diene

> <FORMULA>
C7H10

> <MASS>
94.157

> <MONOISOTOPIC_MASS>
94.07825

> <CHARGE>
0

> <SMILES>
C1CC=CC=C1C

> <INCHI>
InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3

> <INCHIKEY>
QMFJIJFIHIDENY-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1489-56-1

> <CHEMIDPLUS>
1489-56-1

$$$$