-ISIS-  08251614332D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.3167    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  8  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <ID> (STK347137)
STK347137

>  <Rotatable_Bonds> (STK347137)
3

>  <logP> (STK347137)
3.294

>  <PSA> (STK347137)
26.3

>  <H_Donors> (STK347137)
0

>  <H_Acceptors> (STK347137)
2

>  <Number_of_rings> (STK347137)
1

>  <NAME> (STK347137)
4-butoxybenzaldehyde

>  <Mol_Weight> (STK347137)
178.23

>  <Mol_Formula> (STK347137)
C11H14O2

>  <Smiles> (STK347137)
CCCCOc1ccc(cc1)C=O

$$$$