Mrv0541 02241204072D          

  7  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1196    0.0000    0.0000 N   0  3  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
    0.0000   -2.4750    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.4750    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
  4  7  2  0  0  0  0
M  CHG  4   1   1   2   1   3  -1   5  -1
M  END
> <DATABASE_ID>
T3D0714

> <DATABASE_NAME>
t3db

> <SMILES>
[NH4+].[NH4+].[O-][Cr]([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Cr.2H3N.4O/h;2*1H3;;;;/q;;;;;2*-1/p+2

> <INCHI_KEY>
MFFLHUNPSHBKRG-UHFFFAOYSA-P

> <FORMULA>
CrH8N2O4

> <MOLECULAR_WEIGHT>
152.0706

> <EXACT_MASS>
151.988918658

> <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>
diammonium 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>
diammonium chromate(2-)

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0714

> <NAME>
Ammonium chromate

> <CAS>
7788-98-9

> <SYNONYMS>
(NH4)2CrO4; Ammonium chromate(VI); Ammonium chromic acid; Chromic acid diammonium salt; Diammonium chromate; Neutral ammonium chromate

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

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