-ISIS-  08091621332D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.3333    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1708   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1833    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1833    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.8708    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  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  2  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
  6  4  2  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <ID> (BBL000541)
BBL000541

>  <Rotatable_Bonds> (BBL000541)
2

>  <logP> (BBL000541)
3.05

>  <PSA> (BBL000541)
30.21

>  <H_Donors> (BBL000541)
0

>  <H_Acceptors> (BBL000541)
2

>  <Number_of_rings> (BBL000541)
2

>  <NAME> (BBL000541)
3-(5-methylfuran-2-yl)benzaldehyde

>  <Mol_Weight> (BBL000541)
186.21

>  <Mol_Formula> (BBL000541)
C12H10O2

>  <Smiles> (BBL000541)
O=Cc1cccc(c1)c1ccc(o1)C

>  <CAS_Number> (BBL000541)
400745-03-1

>  <Alternative_identifier> (BBL000541)
MFCD03030047

$$$$