57872316
  -OEChem-04232422092D

 12 10  0     0  0  0  0  0  0999 V2000
    3.8660    0.2430    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.6230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2430    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
57872316

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
14.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAIAAAAAAQAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACASAgAACAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cobalt;propan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
cobalt;2-propanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
cobalt;propan-2-ol

> <PUBCHEM_IUPAC_NAME>
cobalt;propan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cobalt;propan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cobalt;propan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H7O.Co/c1-3(2)4;/h4H,1-2H3;/q-1;

> <PUBCHEM_IUPAC_INCHIKEY>
GLUXMGUGOPVHKM-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
117.982883

> <PUBCHEM_MOLECULAR_FORMULA>
C3H7CoO-

> <PUBCHEM_MOLECULAR_WEIGHT>
118.02

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[C-](C)O.[Co]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C-](C)O.[Co]

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
117.982883

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6
1  3  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$