3-Phenyl-1,2,4-oxadiazole-5-carbaldehyde dihydrate
  -molcms-05202606382D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.7226    1.5878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7226    0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9135    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6736    0.2788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614    1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2614    1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7614    0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7614    0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2614    1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7614    1.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7614    1.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6736    1.8968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2614    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9538    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
  3  4  2  0  0  0  0
  2  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  6 13  2  0  0  0  0
 13  1  1  0  0  0  0
M  END
>  <ProductName>
3-Phenyl-1,2,4-oxadiazole-5-carbaldehyde dihydrate

>  <CASNumber>
1559062-07-5

>  <MolecularFormula>
C9H10N2O4

>  <MDLNo>


>  <MolWt>
210.19

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O1C(C=O)=NC(C2C=CC=CC=2)=N1.O.O

$$$$