21917310
 OpenBabel05082101102D

  7  5  0  0  0  0  0  0  0  0999 V2000
    1.1530    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.2690    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.0000    0.0000 O   0  0  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
    1.4030    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
M  CHG  1   1   2
M  END
>  <PUBCHEM_COMPOUND_CID>
21917310

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
26.3

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAACAAAAAAAAAAACAAAAgAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;carbonic acid

>  <PUBCHEM_IUPAC_CAS_NAME>
magnesium;carbonic acid

>  <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;carbonic acid

>  <PUBCHEM_IUPAC_NAME>
magnesium;carbonic acid

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;carbonic acid

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;carbonic acid

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

>  <PUBCHEM_IUPAC_INCHIKEY>
ZLNQQNXFFQJAID-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
85.985436

>  <PUBCHEM_MOLECULAR_FORMULA>
CH2MgO3+2

>  <PUBCHEM_MOLECULAR_WEIGHT>
86.33

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(=O)(O)O.[Mg+2]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(=O)(O)O.[Mg+2]

>  <PUBCHEM_CACTVS_TPSA>
57.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
85.985436

>  <PUBCHEM_TOTAL_CHARGE>
2

>  <PUBCHEM_HEAVY_ATOM_COUNT>
5

>  <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>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
