Mrv0541 02251411192D          

  9  8  0  0  0  0            999 V2000
    3.6536   -0.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680   -0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0825   -0.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7969   -0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5114   -0.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2258   -0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9402   -0.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6547   -0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3692   -0.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
M  END
> <ID>
CHEBI:77443

> <NAME>
1-nonene

> <DEFINITION>
An alkene that is nonane containing one double bond located at position 1.

> <STAR>
3

> <SYNONYM>
Propylene trimer; Nonylene; Nonene-(1); Nonene; n-Non-1-ene; alpha-Nonene

> <IUPAC_NAME>
non-1-ene

> <FORMULA>
C9H18

> <MASS>
126.23920

> <MONOISOTOPIC_MASS>
126.14085

> <CHARGE>
0

> <SMILES>
CCCCCCCC=C

> <INCHI>
InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3

> <INCHIKEY>
JRZJOMJEPLMPRA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
124-11-8

> <REAXYS_REGISTRY_NUMBER>
1698439

> <CHEMIDPLUS>
124-11-8

> <NIST_CHEMISTRY_WEBBOOK>
124-11-8

$$$$