Mrv0541 02241205202D          

 13  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    2.0036    0.0000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    4.0071    0.0000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    6.0107    0.0000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    2.0036   -1.6500    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    4.0071   -1.6500    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    6.0107   -1.6500    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    2.0036   -3.3000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    4.0071   -3.3000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    6.0107   -3.3000    0.0000 B   0  0  0  0  0 15  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
T3D1496

> <DATABASE_NAME>
t3db

> <SMILES>
[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[Al]

> <INCHI_IDENTIFIER>
InChI=1S/Al.12B.3H

> <INCHI_KEY>
FCPCPNQLFRIEMO-UHFFFAOYSA-N

> <FORMULA>
AlB12

> <MOLECULAR_WEIGHT>
156.714

> <EXACT_MASS>
159.093204033

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
alumane dodecaboranylidyne

> <JCHEM_LOGP>
0.3308

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
alumane dodecaboranylidyne

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1496

> <NAME>
Aluminium dodecaboride

> <CAS>
12041-54-2

> <SYNONYMS>
Aluminum boride (AlB12)

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

$$$$