-ISIS-  08091621332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.5125    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9958   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9458    0.3958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0333   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1375    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3708   -1.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6667    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5167    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5167   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
  4  5  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <ID> (BBL000780)
BBL000780

>  <Rotatable_Bonds> (BBL000780)
1

>  <logP> (BBL000780)
0.824

>  <PSA> (BBL000780)
43.37

>  <H_Donors> (BBL000780)
0

>  <H_Acceptors> (BBL000780)
3

>  <Number_of_rings> (BBL000780)
2

>  <NAME> (BBL000780)
3-benzyldihydrofuran-2,5-dione

>  <Mol_Weight> (BBL000780)
190.20

>  <Mol_Formula> (BBL000780)
C11H10O3

>  <Smiles> (BBL000780)
O=C1OC(=O)CC1Cc1ccccc1

>  <Alternative_identifier> (BBL000780)
MFCD00157369

$$$$