-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.5208    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5083    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -2.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    2.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0083    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0083   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4958   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.0000    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  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <ID> (BBL000534)
BBL000534

>  <Rotatable_Bonds> (BBL000534)
4

>  <logP> (BBL000534)
2.12

>  <PSA> (BBL000534)
54.37

>  <H_Donors> (BBL000534)
1

>  <H_Acceptors> (BBL000534)
3

>  <Number_of_rings> (BBL000534)
2

>  <NAME> (BBL000534)
2'-formylbiphenyl-2-carboxylic acid

>  <Mol_Weight> (BBL000534)
226.23

>  <Mol_Formula> (BBL000534)
C14H10O3

>  <Smiles> (BBL000534)
O=Cc1ccccc1c1ccccc1C(=O)O

>  <CAS_Number> (BBL000534)
6720-26-9

>  <Alternative_identifier> (BBL000534)
MFCD04039066

$$$$