1-Ethynylisoquinoline
  -molcms-05312620022D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 H   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    2.5981    0.0000 H   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
   -2.0000    1.7321    0.0000 H   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
   -3.0000    0.0000    0.0000 H   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
   -2.0000   -1.7321    0.0000 H   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   -1.7321    0.0000 H   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
    2.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.5981    0.0000 H   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
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15  6  1  0  0  0  0
 15 16  1  0  0  0  0
 16  1  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <ProductName>
1-Ethynylisoquinoline

>  <CASNumber>
86520-96-9

>  <MolecularFormula>
C11H7N

>  <MDLNo>
MFCD16659652

>  <MolWt>
153.18

>  <BoilingPoint>
298 oC

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
N1C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C2C=1C#C[H]

$$$$