Mrv0541 09211104512D          

 15 14  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0460    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    1.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599    1.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D1575

> <SMILES>
CC(=O)O[Pd]OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/2C2H4O2.Pd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2

> <INCHI_KEY>
InChIKey=YJVFFLUZDVXJQI-UHFFFAOYSA-L

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
12.217201478724615

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
223.930091767

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C4H6O4Pd

> <JCHEM_IUPAC>
(acetyloxy)palladio acetate

> <JCHEM_LOGP>
-0.11340000000000004

> <JCHEM_MASS>
224.51

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
23.4322

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_TRADITIONAL_IUPAC>
(acetyloxy)palladio acetate

$$$$