Mrv1572004161621562D          

  2  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ba  0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
CHEM000954

> <DATABASE_NAME>
chemdb

> <SMILES>
O.[Ba]

> <INCHI_IDENTIFIER>
InChI=1S/Ba.H2O/h;1H2

> <INCHI_KEY>
QFKJCKFAYFUXRQ-UHFFFAOYSA-N

> <FORMULA>
BaH2O

> <MOLECULAR_WEIGHT>
155.342

> <EXACT_MASS>
155.915812

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
barium hydrate

> <JCHEM_LOGP>
-0.2

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
barium hydrate

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1117

> <NAME>
Barium oxide

> <CAS>
1304-28-5

> <SYNONYMS>
BAO; Barium oxide (bao); Barium oxide, bao; Barium oxide, obtained BY calcining witherite; Barium protoxide; Barsito; Baryta; Calcined barsito; Calcined baryta; Oxyde de baryum

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

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