4-Guanidinobenzoicacid
  -molcms-06102612112D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.0000   -1.7321    0.0000 N   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 N   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 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
   -1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.8660    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
    4.5000   -0.8660    0.0000 N   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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  4  1  0  0  0  0
  2 13  2  0  0  0  0
M  END
>  <ProductName>
4-Guanidinobenzoicacid

>  <CASNumber>
16060-65-4

>  <MolecularFormula>
C8H9N3O2

>  <MDLNo>
MFCD00152515

>  <MolWt>
179.18

>  <BoilingPoint>


>  <MeltingPoint>
260-270 oC

>  <MolFile>


>  <Smiles>
NC(NC1=CC=C(C(=O)O)C=C1)=N

$$$$