-ISIS-  08091621332D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0042    0.4958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8958    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.5167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7333    0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    2.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.0792    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  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  4  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <ID> (BBL000681)
BBL000681

>  <Rotatable_Bonds> (BBL000681)
5

>  <logP> (BBL000681)
1.009

>  <PSA> (BBL000681)
74.6

>  <H_Donors> (BBL000681)
2

>  <H_Acceptors> (BBL000681)
4

>  <Number_of_rings> (BBL000681)
1

>  <NAME> (BBL000681)
cyclopent-2-en-1-ylpropanedioic acid

>  <Mol_Weight> (BBL000681)
170.16

>  <Mol_Formula> (BBL000681)
C8H10O4

>  <Smiles> (BBL000681)
OC(=O)C(C1CCC=C1)C(=O)O

>  <Alternative_identifier> (BBL000681)
MFCD00019307

$$$$