Mrv0541 02241205212D          

  7  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.1214    0.1375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8359   -0.2750    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    3.5504    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.9250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3375    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  CHG  3   1   2   2  -1   5  -1
M  END
> <DATABASE_ID>
T3D1541

> <DATABASE_NAME>
t3db

> <SMILES>
[Mg++].[O-][Al]=O.[O-][Al]=O

> <INCHI_IDENTIFIER>
InChI=1S/2Al.Mg.4O/q;;+2;;;2*-1

> <INCHI_KEY>
VPBIQXABTCDMAU-UHFFFAOYSA-N

> <FORMULA>
Al2MgO4

> <MOLECULAR_WEIGHT>
142.266

> <EXACT_MASS>
141.927777268

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5484392916544074

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) ion dialumanoylolate

> <JCHEM_LOGP>
0.5624

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.822034307606923

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) ion dialumanoylolate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1541

> <NAME>
Magnesium aluminate

> <CAS>
12068-51-8

> <SYNONYMS>
IUPAC: Magnesium; Aluminum(+3) Cation; Oxygen(-2) Anion; Magnesium aluminic acid

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

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