Mrv0541 02241205212D          

  3  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  5  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
    0.0000   -1.6500    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1  -1   2  -2   3   3
M  END
> <DATABASE_ID>
T3D1568

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/Al.H2O.O/h;1H2;/q+3;;-2/p-1

> <INCHI_KEY>
VXAUWWUXCIMFIM-UHFFFAOYSA-M

> <FORMULA>
AlHO2

> <MOLECULAR_WEIGHT>
59.9883

> <EXACT_MASS>
59.979192717

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.1909242651253518

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
aluminium(3+) ion hydroxide oxidandiide

> <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>
13.914900000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
aluminium(3+) ion hydroxide oxidandiide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1568

> <NAME>
gamma-Aluminum oxide hydroxide

> <CAS>
1318-23-6

> <SYNONYMS>
Aluminum oxyhydroxide; Boehmite; Boehmite (al(oh)o); g-Aluminum oxide hydroxide; γ-Aluminum oxide hydroxide

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

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