Mrv1572004201615512D          

  8  2  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    1.8857    0.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786   -0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  2  0  0  0  0
  5  4  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009907

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/2Al.O2Si.3H2O/c;;1-3-2;;;/h;;;3*1H2

> <INCHI_KEY>
VMLBCOFWMYMGLE-UHFFFAOYSA-N

> <FORMULA>
Al2H6O5Si

> <MOLECULAR_WEIGHT>
168.091

> <EXACT_MASS>
167.9615268

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
3.2811468900078617

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
silanedione dialumane trihydrate

> <JCHEM_LOGP>
-0.6577999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.532702804224158

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
silica dialumane trihydrate

> <JCHEM_VEBER_RULE>
1

> <NAME>
Zeolites

> <CAS>
1318-02-1

> <SYNONYMS>
Zeolites other than erionite (clinoptilolite, phillipsite,mordenite, non-fibrous Japanese zeolite, synthetic zeolites)

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