Mrv1572004161622002D          

  5  1  0  0  0  0            999 V2000
   -0.8250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1821    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Al  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END
> <DATABASE_ID>
CHEM001295

> <DATABASE_NAME>
chemdb

> <SMILES>
C.C.[Al+].C[O-]

> <INCHI_IDENTIFIER>
InChI=1S/CH3O.2CH4.Al/c1-2;;;/h1H3;2*1H4;/q-1;;;+1

> <INCHI_KEY>
WZCSPXAKFFCXQR-UHFFFAOYSA-N

> <FORMULA>
C3H11AlO

> <MOLECULAR_WEIGHT>
90.102

> <EXACT_MASS>
90.0625285

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
3.063145763329802

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ¹-alumanylium bis(methane) methanolate

> <ALOGPS_LOGP>
-0.64

> <JCHEM_LOGP>
-0.5185770686666668

> <ALOGPS_LOGS>
0.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.775593215075904

> <JCHEM_PKA_STRONGEST_BASIC>
-2.459555527725798

> <JCHEM_POLAR_SURFACE_AREA>
23.06

> <JCHEM_REFRACTIVITY>
18.8116

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.80e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ¹-alumanylium bis(methane) methoxide

> <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

$$$$