Mrv0541 10161413402D          

  3  2  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
    0.8838    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7657   -0.0251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1449

> <DATABASE_NAME>
t3db

> <SMILES>
O=[Cr]=O

> <INCHI_IDENTIFIER>
InChI=1S/Cr.2O

> <INCHI_KEY>
AYTAKQFHWFYBMA-UHFFFAOYSA-N

> <FORMULA>
CrO2

> <MOLECULAR_WEIGHT>
83.9949

> <EXACT_MASS>
83.930341148

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
4.194784183297975

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxochromium

> <ALOGPS_LOGP>
-1.31

> <JCHEM_LOGP>
-1.1528

> <ALOGPS_LOGS>
0.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.711108232191629

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.52e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chromium dioxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1449

> <NAME>
Chromium(IV) oxide

> <CAS>
12018-01-8

> <SYNONYMS>
Chromdioxid; Chromic (III) hydroxide; Chromic hydroxide; Chromic oxide gel; Chromic oxide, hydrous; Chromium hydroxide; Chromium oxide; Chromium(3+) hydroxide; Chromium(III) hydroxide; CrO2; Dichromium trioxide hydrate

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

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