57483959
  -OEChem-05052408332D

 11  9  0     0  0  0  0  0  0999 V2000
    1.5860    0.0000    0.0000 Mg  0  0  0  0  0 15  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
    3.1350    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.0000    0.0000 C   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
    2.6675    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.8800    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  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57483959

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
42.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCMAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQACABAAgAIAACQCAAAAAAAAAAAAICAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H5NO2.Mg/c3-1-2(4)5;/h1,3H2,(H,4,5);

> <PUBCHEM_IUPAC_INCHIKEY>
GMHHOEMTCPPZJT-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
99.0170701

> <PUBCHEM_MOLECULAR_FORMULA>
C2H5MgNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
99.37

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

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

> <PUBCHEM_CACTVS_TPSA>
63.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
99.0170701

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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

$$$$