Mrv0541 08251413492D          

  9  6  0  0  0  0            999 V2000
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7714    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3589   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5339   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3645    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
M  CHG  3   4  -1   8  -1   9   2
M  END
> <DATABASE_ID>
T3D0653

> <DATABASE_NAME>
t3db

> <SMILES>
[Co++].CC([O-])=O.CC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2C2H4O2.Co/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2

> <INCHI_KEY>
QAHREYKOYSIQPH-UHFFFAOYSA-L

> <FORMULA>
C4H6CoO4

> <MOLECULAR_WEIGHT>
177.0212

> <EXACT_MASS>
176.959808874

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
4.955916234550971

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ²-cobalt(2+) ion diacetate

> <ALOGPS_LOGP>
0.22

> <JCHEM_LOGP>
-0.2233457143333334

> <ALOGPS_LOGS>
-0.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
23.480800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.58e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ²-cobalt(2+) ion diacetate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0653

> <NAME>
Cobalt(II) acetate

> <CAS>
71-48-7

> <SYNONYMS>
Bis(acetato)cobalt; Cobalt acetate; Cobalt di(acetate); Cobalt diacetate; Cobalt(2+) acetate; Cobalt(2+) diacetate; Cobalt(II) acetic acid; Cobaltous acetate; Cobaltous diacetate

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

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