-ISIS-  08091621332D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0042   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.0042    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
    0.8583    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  5  2  0  0  0  0
  9  4  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  2  1  0  0  0  0
 13 10  1  0  0  0  0
  8 11  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <ID> (BBL000531)
BBL000531

>  <Rotatable_Bonds> (BBL000531)
1

>  <logP> (BBL000531)
2.365

>  <PSA> (BBL000531)
46.53

>  <H_Donors> (BBL000531)
1

>  <H_Acceptors> (BBL000531)
3

>  <Number_of_rings> (BBL000531)
2

>  <NAME> (BBL000531)
7-hydroxy-4-methyl-2H-chromen-2-one

>  <Mol_Weight> (BBL000531)
176.17

>  <Mol_Formula> (BBL000531)
C10H8O3

>  <Smiles> (BBL000531)
Oc1ccc2c(c1)oc(=O)cc2C

>  <CAS_Number> (BBL000531)
90-33-5

>  <Alternative_identifier> (BBL000531)
MFCD00006866

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