Marvin  10110515212D          

  3  2  0  0  0  0            999 V2000
   -0.7770    0.5562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    0.9687    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520    0.5562    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  END
> <ID>
CHEBI:30047

> <NAME>
vanadium dioxide

> <STAR>
3

> <SYNONYM>
VO2; [VO2]

> <IUPAC_NAME>
vanadium(IV) oxide; vanadium dioxide

> <FORMULA>
O2V

> <MASS>
82.94030

> <MONOISOTOPIC_MASS>
82.93379

> <CHARGE>
0

> <SMILES>
O=[V]=O

> <INCHI>
InChI=1S/2O.V

> <INCHIKEY>
GRUMUEUJTSXQOI-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
12036-21-4

> <GMELIN_REGISTRY_NUMBER>
873472

> <MOLBASE_ACCESSION>
1571

> <NIST_CHEMISTRY_WEBBOOK>
12036-21-4

$$$$