Mrv1572004191601492D          

  6  3  0  0  0  0            999 V2000
    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
    0.7425    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3200    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    3.0996    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
M  CHG  3   3  -1   4  -1   5   2
M  END
> <DATABASE_ID>
CHEM006351

> <DATABASE_NAME>
chemdb

> <SMILES>
O.[Mg++].[O-]C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O3.Mg.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;/p-2

> <INCHI_KEY>
OUHCLAKJJGMPSW-UHFFFAOYSA-L

> <FORMULA>
CH2MgO4

> <MOLECULAR_WEIGHT>
102.328

> <EXACT_MASS>
101.98035024

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5154552300033055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) ion hydrate carbonate

> <ALOGPS_LOGP>
0.52

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
0.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618222

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.26e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) ion hydrate carbonate

> <JCHEM_VEBER_RULE>
0

> <NAME>
MAGNESIUM CARBONATE

> <CAS>
39409-82-0

$$$$