Mrv0541 02241205372D          

  3  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1  -1   2  -1   3   2
M  END
> <DATABASE_ID>
T3D1108

> <DATABASE_NAME>
t3db

> <SMILES>
[OH-].[OH-].[Ba++]

> <INCHI_IDENTIFIER>
InChI=1S/Ba.2H2O/h;2*1H2/q+2;;/p-2

> <INCHI_KEY>
RQPZNWPYLFFXCP-UHFFFAOYSA-L

> <FORMULA>
BaH2O2

> <MOLECULAR_WEIGHT>
171.342

> <EXACT_MASS>
171.910720581

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.1909242651253518

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
barium(2+) ion dihydroxide

> <JCHEM_LOGP>
-0.6519999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
13.914900000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
barium(2+) ion dihydroxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1108

> <NAME>
Barium hydroxide

> <CAS>
17194-00-2

> <SYNONYMS>
Aetzbaryt; Ba(OH)2; Barium hydroxide (Ba(OH)2); Barium hydroxide lime; Barium hydroxide, a; barium(2+) hydroxide; Barium(II) hydroxide; Bariumhydroxid; Caustic baryta

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

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