Mrv0541 09211105002D          

 22 21  0  0  0  0            999 V2000
    1.4289   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.6664    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934   -0.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -4.7289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.5539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -4.7289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -0.3019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8471   -0.3398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7579    0.0784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3397   -1.0108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D1458

> <SMILES>
CC(=O)O[Cr](OC(C)=O)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/3C2H4O2.Cr/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3

> <INCHI_KEY>
InChIKey=WYYQVWLEPYFFLP-UHFFFAOYSA-K

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
17.21804048415012

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
228.980424924

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C6H9CrO6

> <JCHEM_IUPAC>
bis(acetyloxy)chromio acetate

> <JCHEM_LOGP>
-0.9200999999999999

> <JCHEM_MASS>
229.1282

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
35.148300000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_TRADITIONAL_IUPAC>
chromic acetate

$$$$