Mrv0541 02241205482D          

 11  6  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5964    0.0000    0.0000 Cd  0  2  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4161   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  CHG  3   3   2   6  -1  10  -1
M  END
> <DATABASE_ID>
CHEM017378

> <DATABASE_NAME>
chemdb

> <SMILES>
O.O.[Cd++].CC([O-])=O.CC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2C2H4O2.Cd.2H2O/c2*1-2(3)4;;;/h2*1H3,(H,3,4);;2*1H2/q;;+2;;/p-2

> <INCHI_KEY>
AUIZLSZEDUYGDE-UHFFFAOYSA-L

> <FORMULA>
C4H10CdO6

> <MOLECULAR_WEIGHT>
266.53

> <EXACT_MASS>
267.951096173

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.955940651539537

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
cadmium(2+) ion diacetate dihydrate

> <JCHEM_LOGP>
-0.2233457143333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
23.480800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
cadmium(2+) ion diacetate dihydrate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Cadmium acetate dihydrate

> <CAS>
5743-04-4

$$$$