57448735
  -OEChem-05122421102D

  7  5  0     0  0  0  0  0  0999 V2000
    0.0369    0.0000    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    1.0369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    3.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57448735

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYAAIAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methane;oxopalladium

> <PUBCHEM_IUPAC_CAS_NAME>
methane;oxopalladium

> <PUBCHEM_IUPAC_NAME_MARKUP>
methane;oxopalladium

> <PUBCHEM_IUPAC_NAME>
methane;oxopalladium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methane;oxidanylidenepalladium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ketopalladium;methane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH4.O.Pd/h1H4;;

> <PUBCHEM_IUPAC_INCHIKEY>
ZOPQQXGBXDQRSA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
137.92970

> <PUBCHEM_MOLECULAR_FORMULA>
CH4OPd

> <PUBCHEM_MOLECULAR_WEIGHT>
138.46

> <PUBCHEM_OPENEYE_CAN_SMILES>
C.O=[Pd]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C.O=[Pd]

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
137.92970

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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

$$$$