Mrv0541 09211104422D          

 15 14  0  0  0  0            999 V2000
    1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    0.7144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2311    2.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0057    2.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    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
  8  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
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0319

> <SMILES>
CC(=O)O[Pb]OCC=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H4O2.C2H3O2.Pb/c1-2(3)4;3-1-2-4;/h1H3,(H,3,4);1H,2H2;/q;-1;+2/p-1

> <INCHI_KEY>
InChIKey=FOTVYAJHHREIKV-UHFFFAOYSA-M

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
12.434550546760079

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
326.00324453

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C4H6O4Pb

> <JCHEM_IUPAC>
(2-oxoethoxy)-$l^{2}-plumbyl acetate

> <JCHEM_LOGP>
-0.7050000000000001

> <JCHEM_MASS>
325.3

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
23.922200000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_TRADITIONAL_IUPAC>
(2-oxoethoxy)-$l^{2}-plumbyl acetate

$$$$