Marvin  02020715162D          

  6  6  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <ID>
CHEBI:37610

> <NAME>
cyclohexa-1,3-diene

> <STAR>
3

> <SYNONYM>
1,3-cyclohexadiene; 1,2-dihydrobenzene

> <IUPAC_NAME>
cyclohexa-1,3-diene

> <FORMULA>
C6H8

> <MASS>
80.12772

> <MONOISOTOPIC_MASS>
80.06260

> <CHARGE>
0

> <SMILES>
C1CC=CC=C1

> <INCHI>
InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2

> <INCHIKEY>
MGNZXYYWBUKAII-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
506024

> <CAS_REGISTRY_NUMBER>
592-57-4

> <GMELIN_REGISTRY_NUMBER>
1657

> <CHEMIDPLUS>
592-57-4

> <NIST_CHEMISTRY_WEBBOOK>
592-57-4

$$$$