Mrv0541 02241205202D          

  4  2  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Li  0  3  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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
T3D1538

> <DATABASE_NAME>
t3db

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

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

> <INCHI_KEY>
YQNQTEBHHUSESQ-UHFFFAOYSA-N

> <FORMULA>
AlLiO2

> <MOLECULAR_WEIGHT>
65.921

> <EXACT_MASS>
65.987371734

> <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>
lithium(1+) ion alumanoylolate

> <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>
lithium(1+) ion alumanoylolate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1538

> <NAME>
Lithium aluminate

> <CAS>
12003-67-7

> <SYNONYMS>
Aluminate (AlO1-), lithium; Aluminate (AlO21-), lithium; Aluminium lithium dioxide; Aluminum lithium oxide; Aluminum lithium oxide (allio); Aluminum lithium oxide (AlLiO2); Aluminum lithium oxide (lialo); Aluminum lithium oxide (LiAlO2); LiAlO2; Lithium aluminate (LiAlO2); Lithium aluminic acid; Lithium aluminum oxide; Lithium aluminum oxide (LiAlO2); Lithium aluminum spinal; Lithium metaaluminate

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

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