-ISIS-  08091621332D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   -0.4583   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4083   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1333   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6292   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
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 12  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  2  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
  3  5  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <ID> (BBL000801)
BBL000801

>  <Rotatable_Bonds> (BBL000801)
5

>  <logP> (BBL000801)
2.851

>  <PSA> (BBL000801)
65.74

>  <H_Donors> (BBL000801)
0

>  <H_Acceptors> (BBL000801)
5

>  <Number_of_rings> (BBL000801)
2

>  <NAME> (BBL000801)
ethyl 4-(acetyloxy)-3-methyl-1-benzofuran-2-carboxylate

>  <Mol_Weight> (BBL000801)
262.26

>  <Mol_Formula> (BBL000801)
C14H14O5

>  <Smiles> (BBL000801)
CCOC(=O)c1oc2c(c1C)c(ccc2)OC(=O)C

>  <Alternative_identifier> (BBL000801)
MFCD01141547

$$$$