Marvin  09250816532D          

 11 12  0  0  0  0            999 V2000
   -0.5598    1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2743    1.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9888    1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9888    0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2743    0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5598    0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1546    0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692    0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692    1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1546    1.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1546    2.7402    0.0000 C   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
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:50717

> <NAME>
1-methylnaphthalene

> <DEFINITION>
A methylnaphthalene carrying a methyl substituent at position 1.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19066; CHEBI:34094

> <SYNONYM>
alpha-methylnaphthalene; alpha-Methylnaphthalene; 1-Methylnaphthalene

> <FORMULA>
C11H10

> <MASS>
142.19710

> <MONOISOTOPIC_MASS>
142.07825

> <CHARGE>
0

> <SMILES>
Cc1cccc2ccccc12

> <INCHI>
InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3

> <INCHIKEY>
QPUYECUOLPXSFR-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
506793

> <CAS_REGISTRY_NUMBER>
90-12-0

> <REAXYS_REGISTRY_NUMBER>
506793

> <CHEMIDPLUS>
90-12-0

> <KEGG_COMPOUND_ACCESSION>
C14082

> <NIST_CHEMISTRY_WEBBOOK>
90-12-0

> <WIKIPEDIA_ACCESSION>
1-Methylnaphthalene

> <PUBMED_CITATION>
19823936; 22367023; 22863852; 24011230

$$$$