Mrv0541 02241204122D          

  4  3  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 C   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
  2  4  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1536

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/3CH3.Al/h3*1H3;

> <INCHI_KEY>
JLTRXTDYQLMHGR-UHFFFAOYSA-N

> <FORMULA>
C3H9Al

> <MOLECULAR_WEIGHT>
72.0851

> <EXACT_MASS>
72.051963729

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
8.794213914105207

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trimethylalumane

> <ALOGPS_LOGP>
1.64

> <JCHEM_LOGP>
2.1790000000000003

> <ALOGPS_LOGS>
-1.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
16.6473

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.02e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trimethylaluminium

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1536

> <NAME>
Trimethylaluminium

> <CAS>
75-24-1

> <SYNONYMS>
(CH3)3Al; Aluminum trimethanide; Aluminum trimethyl; TMA; Trimethylalane; Trimethylaluminum solution

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

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