Mrv0541 02241204072D          

  6  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cr  0  2  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
M  CHG  3   1   2   2  -1   4  -1
M  END
> <DATABASE_ID>
T3D1455

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2Cr.4O/q;+2;;;2*-1

> <INCHI_KEY>
ZTPKOWRHFDMHPS-UHFFFAOYSA-N

> <FORMULA>
Cr2O4

> <MOLECULAR_WEIGHT>
167.9898

> <EXACT_MASS>
167.860682296

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.036749270336774

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ²-chromium(2+) ion dioxochromiumbis(olate)

> <JCHEM_LOGP>
-2.5252

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.19678303814934

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.814872886206285

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
5.7716

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
λ²-chromium(2+) ion chromate(2-)

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1455

> <NAME>
Chromium chromate

> <CAS>
41261-95-4

> <SYNONYMS>
Chromic acid, chromium salt; Chromium chromic acid

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

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