7-methoxyisoquinoline-4-carboxylic acid
  -molcms-05132623502D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.0000    0.0000    0.0000 O   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
   -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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.8660    0.0000 O   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
    1.0000   -1.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7321    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
   -1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  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  1  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  6  2  0  0  0  0
 14 15  1  0  0  0  0
 15  3  2  0  0  0  0
M  END
>  <ProductName>
7-methoxyisoquinoline-4-carboxylic acid

>  <CASNumber>
890130-34-4

>  <MolecularFormula>
C11H9NO3

>  <MDLNo>
MFCD24484067

>  <MolWt>
203.19

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O(C)C1C=CC2C(C(=O)O)=CN=CC=2C=1

$$$$