Marvin  01280810192D          

  4  3  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <ID>
CHEBI:48362

> <NAME>
but-1-ene

> <DEFINITION>
A butene with unsaturation at position 1.

> <STAR>
3

> <SYNONYM>
ethylethylene; butene-1; alpha-butylene; alpha-butene; 1-C4H8; 1-butylene; 1-butene

> <IUPAC_NAME>
but-1-ene

> <FORMULA>
C4H8

> <MASS>
56.10632

> <MONOISOTOPIC_MASS>
56.06260

> <CHARGE>
0

> <SMILES>
CCC=C

> <INCHI>
InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3

> <INCHIKEY>
VXNZUUAINFGPBY-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1098262

> <CAS_REGISTRY_NUMBER>
106-98-9

> <GMELIN_REGISTRY_NUMBER>
25205

> <REAXYS_REGISTRY_NUMBER>
1098262

> <CHEMIDPLUS>
106-98-9

> <NIST_CHEMISTRY_WEBBOOK>
106-98-9

> <WIKIPEDIA_ACCESSION>
1-Butene

> <PUBMED_CITATION>
24819240

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