Marvin  02130613232D          

  3  2  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  2  0  0  0  0
M  RAD  1   2   2
M  END
> <ID>
CHEBI:33101

> <NAME>
nitrogen dioxide

> <STAR>
3

> <SECONDARY_ID>
CHEBI:39851; CHEBI:29332; CHEBI:29784

> <SYNONYM>
Stickstoffdioxid; ONO(.); NO2(.); NO2; nitryl; NITROGEN DIOXIDE; [NO2]; (NO2)(.)

> <IUPAC_NAME>
nitrosooxidanyl; nitrogen(IV) oxide; nitrogen dioxide; dioxidonitrogen(.)

> <FORMULA>
NO2

> <MASS>
46.00554

> <MONOISOTOPIC_MASS>
45.99290

> <CHARGE>
0

> <SMILES>
O=[N]=O

> <INCHI>
InChI=1S/NO2/c2-1-3

> <INCHIKEY>
JCXJVPUVTGWSNB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
10102-44-0

> <GMELIN_REGISTRY_NUMBER>
976

> <CHEMIDPLUS>
10102-44-0

> <MOLBASE_ACCESSION>
939

> <NIST_CHEMISTRY_WEBBOOK>
10102-44-0

> <PDBECHEM_ACCESSION>
2NO

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