-ISIS-  08091621332D

 15 14  0  0  0  0  0  0  0  0999 V2000
    3.9625   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9417   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7917   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9417    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8292    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 10 15  1  0  0  0  0
 11  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <ID> (BBL000065)
BBL000065

>  <Rotatable_Bonds> (BBL000065)
11

>  <logP> (BBL000065)
2.324

>  <PSA> (BBL000065)
63.6

>  <H_Donors> (BBL000065)
1

>  <H_Acceptors> (BBL000065)
4

>  <Number_of_rings> (BBL000065)
0

>  <NAME> (BBL000065)
10-methoxy-10-oxodecanoic acid

>  <Mol_Weight> (BBL000065)
216.28

>  <Mol_Formula> (BBL000065)
C11H20O4

>  <Smiles> (BBL000065)
COC(=O)CCCCCCCCC(=O)O

>  <CAS_Number> (BBL000065)
818-88-2

>  <Alternative_identifier> (BBL000065)
MFCD00004439

$$$$