-ISIS-  08091621332D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.0083    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  2  0  0  0  0
  5  8  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
  3  5  2  0  0  0  0
M  END
>  <ID> (BBL000629)
BBL000629

>  <Rotatable_Bonds> (BBL000629)
2

>  <logP> (BBL000629)
1.473

>  <PSA> (BBL000629)
52.32

>  <H_Donors> (BBL000629)
2

>  <H_Acceptors> (BBL000629)
2

>  <Number_of_rings> (BBL000629)
1

>  <NAME> (BBL000629)
methyl 3-amino-4-methylbenzoate

>  <Mol_Weight> (BBL000629)
165.19

>  <Mol_Formula> (BBL000629)
C9H11NO2

>  <Smiles> (BBL000629)
COC(=O)c1ccc(c(c1)N)C

>  <CAS_Number> (BBL000629)
18595-18-1

>  <Alternative_identifier> (BBL000629)
MFCD00025206

$$$$