4-Nitro-1-propyl-1H-pyrazole-3-carboxylic acid
  -molcms-05162602132D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.4826    2.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6736    1.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7601    1.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511    1.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511    0.3090    0.0000 C   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
    0.5878    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0878   -0.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0878    1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090   -0.9511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2872   -1.1590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3601   -1.6942    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  1  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  2  0  0  0  0
  8  4  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  2  12   1  14  -1
M  END
>  <ProductName>
4-Nitro-1-propyl-1H-pyrazole-3-carboxylic acid

>  <CASNumber>
1006957-63-6

>  <MolecularFormula>
C7H9N3O4

>  <MDLNo>
MFCD04970194

>  <MolWt>
199.16

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
CCCN1C=C(C(=N1)C(=O)O)[N+](=O)[O-]

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