-ISIS-  08091621332D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    1.4875    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4917    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4667    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9750    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
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  9 18  2  0  0  0  0
 10 21  2  0  0  0  0
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 17  6  2  0  0  0  0
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 10 19  1  0  0  0  0
  9 22  1  0  0  0  0
M  END
>  <ID> (BBL000008)
BBL000008

>  <Rotatable_Bonds> (BBL000008)
3

>  <logP> (BBL000008)
5.477

>  <PSA> (BBL000008)
54.57

>  <H_Donors> (BBL000008)
0

>  <H_Acceptors> (BBL000008)
4

>  <Number_of_rings> (BBL000008)
3

>  <NAME> (BBL000008)
tris(4-methylphenyl) phosphate

>  <Mol_Weight> (BBL000008)
368.37

>  <Mol_Formula> (BBL000008)
C21H21O4P

>  <Smiles> (BBL000008)
Cc1ccc(cc1)OP(=O)(Oc1ccc(cc1)C)Oc1ccc(cc1)C

>  <CAS_Number> (BBL000008)
78-32-0

>  <Alternative_identifier> (BBL000008)
MFCD00041908

$$$$