57453178
  -OEChem-05122404252D

  8  6  0     0  0  0  0  0  0999 V2000
    0.4699    0.0000    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4700    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7130    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930    3.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57453178

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYAAMAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEgAACAAAAAAAAAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methanol;oxopalladium

> <PUBCHEM_IUPAC_CAS_NAME>
methanol;oxopalladium

> <PUBCHEM_IUPAC_NAME_MARKUP>
methanol;oxopalladium

> <PUBCHEM_IUPAC_NAME>
methanol;oxopalladium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methanol;oxidanylidenepalladium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ketopalladium;methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH4O.O.Pd/c1-2;;/h2H,1H3;;

> <PUBCHEM_IUPAC_INCHIKEY>
DUXAJJNFMNFOCZ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
153.92461

> <PUBCHEM_MOLECULAR_FORMULA>
CH4O2Pd

> <PUBCHEM_MOLECULAR_WEIGHT>
154.46

> <PUBCHEM_OPENEYE_CAN_SMILES>
CO.O=[Pd]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CO.O=[Pd]

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
153.92461

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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_COORDINATE_TYPE>
1
5
255

$$$$