Mrv0541 02241205182D          

  6  3  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
    2.1214    0.0000    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
M  CHG  3   1  -1   3  -1   5  -1
M  END
> <DATABASE_ID>
T3D1390

> <DATABASE_NAME>
t3db

> <SMILES>
[OH-].[Co].[O-]C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O3.Co.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/p-3

> <INCHI_KEY>
AMBICLBCMQSUDI-UHFFFAOYSA-K

> <FORMULA>
CHCoO4

> <MOLECULAR_WEIGHT>
135.9494

> <EXACT_MASS>
135.920683714

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5155256860644877

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-3

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
cobalt hydroxide carbonate

> <JCHEM_LOGP>
0.25005136566666664

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618219

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
cobalt hydroxide carbonate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1390

> <NAME>
Cobalt(II) carbonate hydroxide (2:3)

> <CAS>
12602-23-2

> <SYNONYMS>
Cobalt basic carbonate; Cobalt carbonate hydroxide; Cobalt carbonate hydroxide (Co5(CO3)2(OH)6); Cobalt carbonate, cobalt dihydroxide (2:3); Cobalt(II) carbonic acid hydroxide (2:3); Di(carbonato(2-))hexahydroxypentacobalt

> <TYPES>
Inorganic Compound; Organic Compound; Cobalt Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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