Mrv0541 02241204572D          

  7  6  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 Cs  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 Cs  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>
T3D0702

> <DATABASE_NAME>
t3db

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

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

> <INCHI_KEY>
CWWDABUSZAUGBC-UHFFFAOYSA-N

> <FORMULA>
CrCs2O4

> <MOLECULAR_WEIGHT>
381.8046

> <EXACT_MASS>
381.731064132

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
9.738072953582638

> <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-dicaesapentane

> <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-dicaesapentane

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0702

> <NAME>
Cesium chromate

> <CAS>
56320-90-2

> <SYNONYMS>
Caesium chromate; Cesium chromic acid; Chromic acid cesium salt; Cs2CrO4; Dicaesium dioxido(dioxo)chromium; Dicesium chromate

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

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