Mrv1572004251606172D          

  5  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Ga  0  1  0  0  0  0  0  0  0  0  0  0
    3.5946    0.0000    0.0000 Gd  0  1  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  5   1   3   2   3   3  -2   4  -2   5  -2
M  END
> <DATABASE_ID>
CHEM009558

> <DATABASE_NAME>
chemdb

> <SMILES>
[O--].[O--].[O--].[Ga+3].[Gd+3]

> <INCHI_IDENTIFIER>
InChI=1S/Ga.Gd.3O/q2*+3;3*-2

> <INCHI_KEY>
ZPDRQAVGXHVGTB-UHFFFAOYSA-N

> <FORMULA>
GaGdO3

> <MOLECULAR_WEIGHT>
274.97

> <EXACT_MASS>
274.83443

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
gadolinium(3+) ion gallium(3+) ion trioxidandiide

> <JCHEM_LOGP>
0.0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
3.73

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.68

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
gadolinium(3+) ion gallium(3+) ion trioxidandiide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Gadolinium gallium oxide (Gd3Ga5O12)

> <CAS>
12024-36-1

$$$$