3-phenyl-1H-pyrazole-5-carbaldehyde
  -molcms-06162606242D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.9836    0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5768   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5823   -0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9945    0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4013    1.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    1.1226    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
    0.5000   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781   -0.6581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5827    0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6691    0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487    0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147    0.3364    0.0000 O   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  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  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
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <ProductName>
3-phenyl-1H-pyrazole-5-carbaldehyde

>  <CASNumber>
57204-65-6

>  <MolecularFormula>
C10H8N2O

>  <MDLNo>
MFCD08669910

>  <MolWt>
172.18

>  <BoilingPoint>
420.4 �� at 760 mmHg

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C1=CC=C(C=C1)C2=NNC(=C2)C=O

$$$$