7-Nitrobenzofuran-3(2H)-one
  -molcms-05152617562D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    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
   -0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -0.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024   -1.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092   -0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5873    0.0388    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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  3  1  0  0  0  0
 12 13  2  0  0  0  0
M  CHG  2   7   1   9  -1
M  END
>  <ProductName>
7-Nitrobenzofuran-3(2H)-one

>  <CASNumber>
164915-57-5

>  <MolecularFormula>
C8H5NO4

>  <MDLNo>


>  <MolWt>
179.13

>  <BoilingPoint>
300.8��C at 760 mmHg

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C1=CC2=C(C(=C1)[N+](=O)[O-])OCC2=O

$$$$