Mrv0541 02241205212D          

  9  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
    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
    2.1214   -1.6500    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    1.1196   -3.3000    0.0000 Sr  0  2  0  0  0  0  0  0  0  0  0  0
    2.2393   -3.3000    0.0000 Sr  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  8   1  -2   2  -2   3  -2   4  -2   5  -2   6   3   7   3   8   2
M  CHG  1   9   2
M  END
> <DATABASE_ID>
T3D1540

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2Al.5O.2Sr/q2*+3;5*-2;2*+2

> <INCHI_KEY>
FNWBQFMGIFLWII-UHFFFAOYSA-N

> <FORMULA>
Al2O5Sr2

> <MOLECULAR_WEIGHT>
309.2

> <EXACT_MASS>
309.74887867

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
0.9475908

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dialuminium(3+) ion distrontium(2+) ion pentaoxidandiide

> <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 distrontium(2+) ion pentaoxidandiide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1540

> <NAME>
Strontium aluminate

> <CAS>
12004-37-4

> <SYNONYMS>
Aluminum strontium oxide (Al2SrO4); Dialuminium strontium tetraoxide; Strontium aluminic acid

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

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