Marvin  01081311102D          

  7  8  0  0  1  0            999 V2000
    9.9783   -5.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9783   -6.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2638   -5.2084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2638   -6.8584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5494   -5.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5494   -6.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9458   -6.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  3  7  1  1  0  0  0
  4  7  1  1  0  0  0
M  END
> <ID>
CHEBI:71546

> <NAME>
norbornane

> <DEFINITION>
A cyclic hydrocarbon consisting of cyclohexane with a methylene bridge linking positions 1 and 4.

> <STAR>
3

> <SYNONYM>
Norsantane; Norfenchane; Norcamphane; Norbornylane; Bicyclo[2.2.1]heptane; Bicyclo(2.2.1)heptane; 1,4-Endomethylenecyclohexane; 1,4-endo-methylenecyclohexane

> <IUPAC_NAME>
(1s,4s)-bicyclo[2.2.1]heptane

> <FORMULA>
C7H12

> <MASS>
96.17020

> <MONOISOTOPIC_MASS>
96.09390

> <CHARGE>
0

> <SMILES>
C1C[C@@H]2CC[C@H]1C2

> <INCHI>
InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2/t6-,7+

> <INCHIKEY>
UMRZSTCPUPJPOJ-KNVOCYPGSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1900379

> <CAS_REGISTRY_NUMBER>
279-23-2

> <REAXYS_REGISTRY_NUMBER>
1900379

> <CHEMIDPLUS>
279-23-2

> <NIST_CHEMISTRY_WEBBOOK>
279-23-2

> <WIKIPEDIA_ACCESSION>
Norbornane

> <PUBMED_CITATION>
20939617; 22240318

$$$$