Mrv0541 08261423182D          

  5  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    2.1214    0.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    4.3607    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
T3D1508

> <DATABASE_NAME>
t3db

> <SMILES>
O.O.O.[Al].[Al]

> <INCHI_IDENTIFIER>
InChI=1S/2Al.3H2O/h;;3*1H2

> <INCHI_KEY>
MTYZVIUPSZCBML-UHFFFAOYSA-N

> <FORMULA>
Al2H6O3

> <MOLECULAR_WEIGHT>
108.0089

> <EXACT_MASS>
107.99477094

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dialumane trihydrate

> <JCHEM_LOGP>
1.4499999999999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dialumane trihydrate

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1508

> <NAME>
Aluminium(II) oxide

> <CAS>
457-64-8

> <SYNONYMS>
Aluminum monoxide; [AlO]

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

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