Mrv0541 08251413502D          

  8  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cr  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
    4.4786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1196   -3.3000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  3   6  -1   7  -1   8   2
M  END
> <DATABASE_ID>
T3D0719

> <DATABASE_NAME>
t3db

> <SMILES>
O.O.O.O.[OH-].[OH-].[Cr].[Zn++]

> <INCHI_IDENTIFIER>
InChI=1S/Cr.6H2O.Zn/h;6*1H2;/q;;;;;;;+2/p-2

> <INCHI_KEY>
DEUWWIYZMXRDRV-UHFFFAOYSA-L

> <FORMULA>
CrH10O6Zn

> <MOLECULAR_WEIGHT>
223.481

> <EXACT_MASS>
221.917396534

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) ion chromium tetrahydrate dihydroxide

> <ALOGPS_LOGP>
-1.27

> <JCHEM_LOGP>
-0.156

> <ALOGPS_LOGS>
1.00

> <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

> <ALOGPS_SOLUBILITY>
1.00e+03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zinc(2+) ion chromium tetrahydrate dihydroxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0719

> <NAME>
Zinc chromate hydroxide

> <CAS>
15930-94-6

> <SYNONYMS>
(Zn2(CrO4)O); Buttercup yellow; Chromic acid (H6cro6), zinc salt (1:2); Chromic acid, zinc hydroxide hydrate (1:2:2:1); Chromic acid, zinc salt (1:2); Chromium(6+) zinc oxide hydrate (1:2:6:1); CI Pigment Yellow 36; Zinc Chromate Oxide (Zn2(CrO4)O), Monohydrate; Zinc chromate oxide (Zn2(CrO4)O), monohydrate (9CI); Zinc chromate(VI) (Zn2(CrO4)O); Zinc chromate(VI) hydroxide; Zinc chromic acid hydroxide; Zinc yellow

> <TYPES>
Inorganic Compound; Chromium Compound; Zinc Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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