Marvin  10190512252D          

  9 10  0  0  0  0            999 V2000
   -0.5536   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5536    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1609    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9455    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9455   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1609   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  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
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:37911

> <NAME>
indane

> <DEFINITION>
An ortho-fused bicyclic hydrocarbon consisting of a benzene ring fused to a cyclopentane ring; a high-boiling (176 oC) colourless liquid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:24790; CHEBI:422620; CHEBI:30428

> <SYNONYM>
indane; Indan; benzocyclopentane

> <IUPAC_NAME>
2,3-dihydro-1H-indene

> <FORMULA>
C9H10

> <MASS>
118.17570

> <MONOISOTOPIC_MASS>
118.07825

> <CHARGE>
0

> <SMILES>
C1Cc2ccccc2C1

> <INCHI>
InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2

> <INCHIKEY>
PQNFLJBBNBOBRQ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1904376

> <CAS_REGISTRY_NUMBER>
496-11-7

> <GMELIN_REGISTRY_NUMBER>
67817

> <REAXYS_REGISTRY_NUMBER>
1904376

> <CHEMIDPLUS>
496-11-7

> <NIST_CHEMISTRY_WEBBOOK>
496-11-7

> <WIKIPEDIA_ACCESSION>
Indane

> <PUBMED_CITATION>
24784750

$$$$