Mrv0541 02241204192D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D0215

> <DATABASE_NAME>
t3db

> <SMILES>
O[Cr](O)(=O)=O

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

> <INCHI_KEY>
KRVSOGSZCMJSLX-UHFFFAOYSA-L

> <FORMULA>
CrH2O4

> <MOLECULAR_WEIGHT>
118.0096

> <EXACT_MASS>
117.935820456

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.510685281089672

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxochromiumdiol

> <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>
74.6

> <JCHEM_REFRACTIVITY>
8.015

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
chromic acid

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0215

> <NAME>
Chromic acid

> <CAS>
7738-94-5

> <SYNONYMS>
Chromate; Chromic Acid; Chromium hydroxide oxide; Dihydrogen(tetraaoxidochromate); Dihydroxidodioxidochromium; H2CrO4; Tetraoxochromic acid; [CrO2(OH)2]

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

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