444497
 OpenBabel05082101102D

  8  4  0  0  0  0  0  0  0  0999 V2000
    1.4030    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.2690    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5369    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
444497

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
2.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYAAMAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;dihydroxide;hydrate

>  <PUBCHEM_IUPAC_CAS_NAME>
magnesium;dihydroxide;hydrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;dihydroxide;hydrate

>  <PUBCHEM_IUPAC_NAME>
magnesium;dihydroxide;hydrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;dihydroxide;hydrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;dihydroxide;hydrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/Mg.3H2O/h;3*1H2/q+2;;;/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
GPRDLRZMTVQCHM-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
76.001086

>  <PUBCHEM_MOLECULAR_FORMULA>
H4MgO3

>  <PUBCHEM_MOLECULAR_WEIGHT>
76.34

>  <PUBCHEM_OPENEYE_CAN_SMILES>
O.[OH-].[OH-].[Mg+2]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
O.[OH-].[OH-].[Mg+2]

>  <PUBCHEM_CACTVS_TPSA>
3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
76.001086

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
4

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
4

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_NONSTANDARDBOND>
1  2  7
1  3  7

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
