Marvin  09281110542D          

  9  6  0  0  0  0            999 V2000
    9.0297   -2.8599    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   10.1069   -2.8495    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9319   -2.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3444   -2.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3444   -3.5640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1641   -2.8574    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.3391   -2.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266   -3.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266   -2.1430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  CHG  3   1   2   2  -1   6  -1
M  END
> <ID>
CHEBI:62964

> <NAME>
magnesium acetate

> <DEFINITION>
The magnesium salt of acetic acid.

> <STAR>
3

> <SYNONYM>
Mg(II) acetate; Mg Acetate; magnesium diacetate; Magnesium di(acetate); Acetic acid, magnesium salt (2:1); acetic acid magnesium salt

> <FORMULA>
C4H6MgO4

> <MASS>
142.39300

> <MONOISOTOPIC_MASS>
142.01165

> <CHARGE>
0

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

> <INCHI>
InChI=1S/2C2H4O2.Mg/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2

> <INCHIKEY>
UEGPKNKPLBYCNK-UHFFFAOYSA-L

> <CAS_REGISTRY_NUMBER>
142-72-3

> <REAXYS_REGISTRY_NUMBER>
3692530

> <CHEMIDPLUS>
142-72-3

> <NIST_CHEMISTRY_WEBBOOK>
142-72-3

$$$$