Mrv0541 02241205202D          

 13  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.0054    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
    1.0018   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.0036   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.0054   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.1196   -3.3000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    2.2393   -3.3000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    4.3607   -3.3000    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  8   1  -2   2  -2   3  -2   4  -2   5  -2   6  -2   7  -2   8  -2
M  CHG  3   9  -2  10   3  11   3
M  END
> <DATABASE_ID>
T3D1511

> <DATABASE_NAME>
t3db

> <SMILES>
[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Al+3].[Al+3].[Mo].[Mo]

> <INCHI_IDENTIFIER>
InChI=1S/2Al.2Mo.9O/q2*+3;;;9*-2

> <INCHI_KEY>
CTVFHFFURJHNAT-UHFFFAOYSA-N

> <FORMULA>
Al2Mo2O9

> <MOLECULAR_WEIGHT>
389.84

> <EXACT_MASS>
393.728124172

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
0.9475908

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-12

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dialuminium(3+) ion dimolybdenum nonaoxidandiide

> <JCHEM_LOGP>
-0.6519999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
13.1149

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dialuminium(3+) ion dimolybdenum nonaoxidandiide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1511

> <NAME>
Aluminium molybdate

> <CAS>
15123-80-5

> <SYNONYMS>
Aluminium molybdic acid; Aluminum molybdate; Aluminum molybdenum oxide (Al2Mo3O12); Dodecaaluminium trimolybdenum dodecaoxide

> <TYPES>
Inorganic Compound; Aluminum Compound; Industrial/Workplace Toxin; Synthetic Compound

$$$$