Mrv0541 02241205202D          

  5  4  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 C   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
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1525

> <DATABASE_NAME>
t3db

> <SMILES>
CO[Al](C)C

> <INCHI_IDENTIFIER>
InChI=1S/CH3O.2CH3.Al/c1-2;;;/h1H3;2*1H3;/q-1;;;+1

> <INCHI_KEY>
BQBCXNQILNPAPX-UHFFFAOYSA-N

> <FORMULA>
C3H9AlO

> <MOLECULAR_WEIGHT>
88.0845

> <EXACT_MASS>
88.046878351

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
9.734975314940586

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methoxydimethylalumane

> <ALOGPS_LOGP>
1.20

> <JCHEM_LOGP>
2.0938999999999997

> <ALOGPS_LOGS>
-0.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.153987878388755

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
18.6071

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.03e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methoxydimethylalumane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1525

> <NAME>
Methylaluminoxane

> <CAS>
120144-90-3

> <SYNONYMS>
MAO

> <TYPES>
Organic Compound; Aluminum Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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