-ISIS-  08091621332D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.0083   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.5167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  CHG  1   4  -1
M  END
>  <ID> (BBL000698)
BBL000698

>  <SALTDATA> (BBL000698)
Na+

>  <Rotatable_Bonds> (BBL000698)
1

>  <logP> (BBL000698)
2.061

>  <PSA> (BBL000698)
60.36

>  <H_Donors> (BBL000698)
1

>  <H_Acceptors> (BBL000698)
3

>  <Number_of_rings> (BBL000698)
1

>  <NAME> (BBL000698)
2-hydroxybenzoate

>  <Mol_Weight> (BBL000698)
137.11

>  <Mol_Formula> (BBL000698)
C7H5O3

>  <Smiles> (BBL000698)
[O-]C(=O)c1ccccc1O

>  <Alternative_identifier> (BBL000698)
MFCD00984876

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