Mrv0541 04301412312D          

  5  4  0  0  0  0            999 V2000
   10.3662   -5.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0807   -5.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7951   -4.5959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6517   -5.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9373   -4.5959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  3  0  0  0  0
  4  5  3  0  0  0  0
M  END
> <ID>
CHEBI:33186

> <NAME>
malononitrile

> <DEFINITION>
A dinitrile that is methane substituted by two cyano groups.

> <STAR>
3

> <SYNONYM>
propanedinitrile; Malonsaeuredinitril; dicyanomethane; dicyanmethane

> <IUPAC_NAME>
malononitrile

> <FORMULA>
C3H2N2

> <MASS>
66.06140

> <MONOISOTOPIC_MASS>
66.02180

> <CHARGE>
0

> <SMILES>
N#CCC#N

> <INCHI>
InChI=1S/C3H2N2/c4-2-1-3-5/h1H2

> <INCHIKEY>
CUONGYYJJVDODC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
773697

> <CAS_REGISTRY_NUMBER>
109-77-3

> <GMELIN_REGISTRY_NUMBER>
1303

> <REAXYS_REGISTRY_NUMBER>
773697

> <CHEMIDPLUS>
109-77-3

> <NIST_CHEMISTRY_WEBBOOK>
109-77-3

> <WIKIPEDIA_ACCESSION>
Malononitrile

> <PUBMED_CITATION>
24683341

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