-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.4417   -0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -2.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  2  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
  4  5  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <ID> (BBL000712)
BBL000712

>  <Rotatable_Bonds> (BBL000712)
4

>  <logP> (BBL000712)
3.554

>  <PSA> (BBL000712)
48.67

>  <H_Donors> (BBL000712)
0

>  <H_Acceptors> (BBL000712)
4

>  <Number_of_rings> (BBL000712)
2

>  <NAME> (BBL000712)
ethyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate

>  <Mol_Weight> (BBL000712)
234.25

>  <Mol_Formula> (BBL000712)
C13H14O4

>  <Smiles> (BBL000712)
CCOC(=O)c1c(C)oc2c1cc(OC)cc2

>  <Alternative_identifier> (BBL000712)
MFCD00435501

$$$$