Marvin  07180716072D          

  4  3  0  0  0  0            999 V2000
   -0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.0000    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  3  0  0  0  0
  1  4  1  0  0  0  0
M  END
> <ID>
CHEBI:38904

> <NAME>
potassium cyanate

> <STAR>
3

> <SYNONYM>
KOCN; Kaliumzyanat; Kaliumcyanat; cyanic acid, potassium salt

> <IUPAC_NAME>
potassium cyanate

> <FORMULA>
CKNO

> <MASS>
81.11514

> <MONOISOTOPIC_MASS>
80.96170

> <CHARGE>
0

> <SMILES>
[K]OC#N

> <INCHI>
InChI=1S/CHNO.K/c2-1-3;/h3H;/q;+1/p-1

> <INCHIKEY>
GKKCIDNWFBPDBW-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3560091

> <CAS_REGISTRY_NUMBER>
590-28-3

> <GMELIN_REGISTRY_NUMBER>
971593

> <CHEMIDPLUS>
590-28-3

> <KEGG_COMPOUND_ACCESSION>
C19067

> <NIST_CHEMISTRY_WEBBOOK>
590-28-3

$$$$