Mrv1572004221604342D          

 33 21  0  0  0  0            999 V2000
    0.7425   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2800   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8675    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2800    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0425    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.8175   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4050    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8175    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5800    0.0000    0.0000 O   0  5  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  5  0  0  0  0  0  0  0  0  0  0
    3.8893   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4768   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8893   -3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6518   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.3661   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9536   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3661   -3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1286   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4125   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -6.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -6.1579    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3200    0.0000    0.0000 Cr  0  1  0  0  0  0  0  0  0  0  0  0
    3.2175    0.0000    0.0000 Cr  0  1  0  0  0  0  0  0  0  0  0  0
    7.7550    0.0000    0.0000 Cr  0  1  0  0  0  0  0  0  0  0  0  0
    2.7696   -6.1579    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8893   -6.1579    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
M  CHG  8   4  -1   8  -1  12  -1  16  -1  20  -1  24  -1  28  -1  29   3
M  CHG  4  30   3  31   3  32  -1  33  -1
M  END
> <DATABASE_ID>
CHEM012212

> <DATABASE_NAME>
chemdb

> <SMILES>
[OH-].[OH-].[Cr+3].[Cr+3].[Cr+3].CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/7C2H4O2.3Cr.2H2O/c7*1-2(3)4;;;;;/h7*1H3,(H,3,4);;;;2*1H2/q;;;;;;;3*+3;;/p-9

> <INCHI_KEY>
KDYFYAUIXHZPBG-UHFFFAOYSA-E

> <FORMULA>
C14H23Cr3O16

> <MOLECULAR_WEIGHT>
603.31

> <EXACT_MASS>
602.920128

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
4.955916234550971

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trichromium(3+) ion heptaacetate dihydroxide

> <ALOGPS_LOGP>
0.66

> <JCHEM_LOGP>
-0.2233457143333334

> <ALOGPS_LOGS>
-1.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
23.480800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.00e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trichromium(3+) ion heptaacetate dihydroxide

> <JCHEM_VEBER_RULE>
0

> <NAME>
Acetic acid, chromium salt, basic

> <CAS>
39430-51-8

> <SYNONYMS>
bis((acetyloxy)(hydroxy)chromio acetate); bis(acetyloxy)chromio acetate; Chromium acetate, basic

$$$$