(RS)-AMPA monohydrate
  -molcms-06132611182D

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.3090    2.5388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090    2.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8968    3.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6180    1.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8090    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8090    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5691    1.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3122    1.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2633    1.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4712    0.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0064    2.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1043    2.9260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <ProductName>
(RS)-AMPA monohydrate

>  <CASNumber>
76463-67-7

>  <MolecularFormula>
C7H12N2O5

>  <MDLNo>


>  <MolWt>
204.18

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O1C(C)=C(C(N1)=O)CC(C(=O)O)N.O

$$$$