4-Dimethylaminophenylglyoxal hydrate
  -molcms-06162603582D

 16 15  0  0  0  0  0  0  0  0999 V2000
    5.0000    1.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7320    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  3  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <ProductName>
4-Dimethylaminophenylglyoxal hydrate

>  <CASNumber>
115282-41-2

>  <MolecularFormula>
C10H11NO2.H2O

>  <MDLNo>
MFCD00234649

>  <MolWt>
195.22

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O=C(C1=CC=C(N(C)C)C=C1)C=O.[H]O[H]

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