Mrv0541 02241205182D          

  8  3  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607    0.0000    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3645    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1389

> <DATABASE_NAME>
t3db

> <SMILES>
O.O.[Co].[Co].OC(O)=O

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

> <INCHI_KEY>
SNLQNWHKVIOALT-UHFFFAOYSA-N

> <FORMULA>
CH6Co2O5

> <MOLECULAR_WEIGHT>
215.9217

> <EXACT_MASS>
215.88792369

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
4.2300060408655416

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
carbonic acid dicobalt dihydrate

> <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>
57.53

> <JCHEM_REFRACTIVITY>
9.498199999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
carbonic acid dicobalt dihydrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1389

> <NAME>
Cobalt(II) carbonate hydroxide (1:1)

> <CAS>
12069-68-0

> <SYNONYMS>
(carbonato)dihydroxydicobalt; (mu-(Carbonato(2-)-O:O'))dihydroxydicobalt; Cobalt(II) carbonic acid hydroxide (1:1)

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

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