Mrv0541 02241205202D          

  5  4  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1509

> <DATABASE_NAME>
t3db

> <SMILES>
O=[Al]O[Al]=O

> <INCHI_IDENTIFIER>
InChI=1S/2Al.3O

> <INCHI_KEY>
TWNQGVIAIRXVLR-UHFFFAOYSA-N

> <FORMULA>
Al2O3

> <MOLECULAR_WEIGHT>
101.9613

> <EXACT_MASS>
101.947820748

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
6.437807447388357

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxo[(oxoalumanyl)oxy]alumane

> <JCHEM_LOGP>
2.4684

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9690778890174876

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
4.236

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
aluminium oxide

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1509

> <NAME>
Aluminium(III) oxide

> <CAS>
1344-28-1

> <SYNONYMS>
a-alumina trihydrate; a-ruvite; Aluminum oxide, dispersion; Aluminum oxide, mesoporous; Aluminum sesquioxide; Aluminum trioxide; Alumite (oxide); Bauxite; Bikorit; Boileezers; Boiling stones; Borite; Borolon; Boxite; Brasivol; Brockmann, aluminum oxide; Cab-o-grip; Calcinated alumina; Calcined alumina; Carbo alumina; Carbo-corundum; Catapal s; Catapal SB alumina; Ceramic, alumina; Compalox; Conopal; Corolox; Corotox; Corowalt; Corubin; Corundite; Corundum; Crystalline aluminum oxide; Delta alumina; Diadur; Dialuminum trioxide; Dirubin; Dispal alumina; Dispal m; Dotment 324; Dotment 358; Dural; Dural F 30; Dycron; Electrocorundum; Emery; Eta-alumina; Faserton; Fasertonerde; Fiber FP; Flame guard; Florite; Hydrated aluminum oxide; Hypalox II; Inhibitor removers; Italcor; Jubenon r; Ketjen b; KHP 2; Korund; Lucalox; Ludox CL; MAFE; Maftec; Martipol; Martisorb; Martoxin; Marttisorb; Microgrit wca; MP 1 (Refractory); Neobead c; Oxide, aluminum; Poraminar; Porocel; Porocel SRC; Portalum A 25; PS 1 (Alumina); Purdox; Q-Loid A 30; RC 172DBM; Realox; Rewagit; REX; RUBY; Saffie; Saffil; Saphire; Sapphire; Selexsorb cos; Tabular alumina; Tealox; Theta alumina; Versal 150

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

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