22766
  CDK     0602212310

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.5079   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 12  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  9 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:173435

> <NAME>
3-Hexylpyridine

> <STAR>
2

> <IUPAC_NAME>
3-hexylpyridine

> <FORMULA>
C11H17N

> <MASS>
163.264

> <MONOISOTOPIC_MASS>
163.13610

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C11H17N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8-10H,2-5,7H2,1H3

> <INCHIKEY>
LWEQIZSFZFUWIE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
6311-92-8

> <CHEMIDPLUS>
6311-92-8

$$$$