Mrv0541 02241204342D          

 11  8  0  0  0  0            999 V2000
   -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 U   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
    4.0661    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0661   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1177

> <DATABASE_NAME>
t3db

> <SMILES>
O=[U]=O.CC(O)=O.CC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2C2H4O2.2O.U/c2*1-2(3)4;;;/h2*1H3,(H,3,4);;;

> <INCHI_KEY>
IXSMFXMQHOBORU-UHFFFAOYSA-N

> <FORMULA>
C4H8O6U

> <MOLECULAR_WEIGHT>
390.1316

> <EXACT_MASS>
390.082870571

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
5.334692754353282

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(acetic acid); dioxouranium

> <JCHEM_LOGP>
-0.2233457143333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
12.6437

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
bis(acetic acid); uranium dioxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1177

> <NAME>
Uranyl acetate

> <CAS>
541-09-3

> <SYNONYMS>
Bis(acetato)dioxouranium; Bis(acetato-o)dioxouranium; Diacetatodioxouranium; Uranaffin reactant; Uranium acetate; Uranium diacetate dioxide; Uranium oxyacetate; Uranyl acetic acid; Uranyl diacetate; Uranyl(2+) acetate

> <TYPES>
Organic Compound; Uranium Compound; Organometallic; Pollutant; Industrial/Workplace Toxin; Synthetic Compound; Radioactive

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