Mrv0541 02241205292D          

  7  6  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Li  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
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0715

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/Cr.2Li.4O

> <INCHI_KEY>
KWSSTSOPGWNPQY-UHFFFAOYSA-N

> <FORMULA>
CrLi2O4

> <MOLECULAR_WEIGHT>
129.876

> <EXACT_MASS>
129.95217849

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
9.60593799084283

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxo-2,4-dioxa-3-chroma-1,5-dilithapentane

> <JCHEM_LOGP>
-0.9104

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.232869686052498

> <JCHEM_POLAR_SURFACE_AREA>
52.60000000000001

> <JCHEM_REFRACTIVITY>
5.5862

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dioxo-2,4-dioxa-3-chroma-1,5-dilithapentane

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0715

> <NAME>
Lithium chromate

> <CAS>
14307-35-8

> <SYNONYMS>
Chromic acid dilithium salt; Chromium lithium oxide; Dilithium chromate; Li2CrO4; Lithium chromate(VI); Lithium chromic acid; Lithium chromium oxide

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

$$$$