Mrv0541 02241205192D          

  5  4  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1444

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2Cr.3O

> <INCHI_KEY>
QDOXWKRWXJOMAK-UHFFFAOYSA-N

> <FORMULA>
Cr2O3

> <MOLECULAR_WEIGHT>
151.9904

> <EXACT_MASS>
151.865767674

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
7.355899180418524

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxo[(oxochromio)oxy]chromium

> <JCHEM_LOGP>
-1.3316

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9690778890174876

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
4.236

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
chromia

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1444

> <NAME>
Chromium(III) oxide

> <CAS>
1308-38-9

> <SYNONYMS>
Chromic acid green; Chromium oxide green; Chromium oxide greens; Chromium sesquioxide; Chromium trioxide; chromium(3+) oxide; Chromium(3+) trioxide; Chromium(III) sesquioxide; Dichromium trioxide; Green chrome oxide; Green chromic oxide; Green chromium oxide; Green cinnabar; Green oxide of chromium; Green rouge; Leaf green; Levanox green ga

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

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