5-(2-Methoxy-4-propan-2-ylphenyl)-1H-pyrrole-2-carboxylic acid
  -molcms-06142622292D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.5981    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
    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
   -1.5878   -0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5388   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5388    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3479    1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2433    2.0823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2614    0.6810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5878    0.8090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   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
    3.5000   -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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16  9  1  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <ProductName>
5-(2-Methoxy-4-propan-2-ylphenyl)-1H-pyrrole-2-carboxylic acid

>  <CASNumber>
1539112-22-5

>  <MolecularFormula>
C15H17NO3

>  <MDLNo>
MFCD31728262

>  <MolWt>
259.30

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O(C)C1C=C(C=CC=1C1=CC=C(C(=O)O)N1)C(C)C

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