Marvin  08070817462D          

  9 10  0  0  0  0            999 V2000
   -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
    0.1609   -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
    0.9455    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
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
  9  8  2  0  0  0  0
M  END
> <ID>
CHEBI:41921

> <NAME>
1H-indene

> <DEFINITION>
An ortho-fused bicyclic arene comprising of benzene and cyclopentene rings.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41918; CHEBI:33051

> <SYNONYM>
indonaphthene; INDENE; indene; Inden

> <IUPAC_NAME>
1H-indene

> <FORMULA>
C9H8

> <MASS>
116.15982

> <MONOISOTOPIC_MASS>
116.06260

> <CHARGE>
0

> <SMILES>
C1C=Cc2ccccc12

> <INCHI>
InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2

> <INCHIKEY>
YBYIRNPNPLQARY-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
635873

> <CAS_REGISTRY_NUMBER>
95-13-6

> <GMELIN_REGISTRY_NUMBER>
27265

> <REAXYS_REGISTRY_NUMBER>
635873

> <CHEMIDPLUS>
95-13-6

> <DRUGBANK_ACCESSION>
DB02815

> <NIST_CHEMISTRY_WEBBOOK>
95-13-6

> <PDBECHEM_ACCESSION>
DEN

> <WIKIPEDIA_ACCESSION>
Indene

> <PUBMED_CITATION>
24217495; 24804069

$$$$