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2-methoxypyridin-3-yl-3-boronic acid
2-methoxypyridin-3-yl-3-boronic acid
ID: BP-11890
CAS:163105-90-6
Supplier:BroadPharm

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SMILES:c1(B(O)O)c(nccc1)OC	
FORMULA: C6H8BNO3
MASS: 152.9436
EXACT MASS: 153.0597235
INTERATOMIC DISTANCES

              C   1      B   2      C   3      N   4      O   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   B   2    0.5954     0.0000 
   C   3    0.6000     1.0341     0.0000 
   N   4    1.0398     1.5831     0.6010     0.0000 
   O   5    1.0341     0.6000     1.5825     2.0740     0.0000 
   O   6    1.0334     0.5954     1.1950     1.7960     1.0341     0.0000 
   O   7    1.0378     1.1958     0.5975     1.0375     1.7958     1.0378 
   C   8    0.6010     1.0375     1.0398     1.2000     1.1964     1.5829 
   C   9    1.2021     1.7974     1.0416     0.6010     2.1600     2.1600 
   C  10    1.1985     1.0362     1.0375     1.5869     1.5839     0.6000 
   C  11    1.0416     1.5861     1.2021     1.0398     1.7974     2.0750 

              O   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   O   7    0.0000 
   C   8    1.5863     0.0000 
   C   9    1.5869     1.0398     0.0000 
   C  10    0.6010     1.7995     2.0791     0.0000 
   C  11    1.7995     0.6010     0.6000     2.1639     0.0000 



ATOMIC CHARGES
   C   1    0.0000000000
   B   2    0.0000000000
   C   3    0.0000000000
   N   4    0.0000000000
   O   5    0.0000000000
   O   6    0.0000000000
   O   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000


BOND ANGLES
   2    1    3   B2  Car  Car    119.790
   2    1    8   B2  Car  Car    120.266
   3    1    8  Car  Car  Car    119.944
   1    2    5  Car   B2   O3    119.790
   1    2    6  Car   B2   O3    120.420
   5    2    6   O3   B2   O3    119.790
   1    3    4  Car  Car  Nar    119.944
   1    3    7  Car  Car   O3    120.140
   4    3    7  Nar  Car   O3    119.917
   3    4    9  Car  Nar  Car    120.113
   3    7   10  Car   O3   C3    119.917
   1    8   11  Car  Car  Car    120.113
   4    9   11  Nar  Car  Car    119.944
   8   11    9  Car  Car  Car    119.944


TORSION ANGLES
   5    2    1    3    179.974
   5    2    1    8      0.026
   6    2    1    3      0.026
   6    2    1    8    179.974
   4    3    1    2    179.974
   4    3    1    8      0.026
   7    3    1    2      0.026
   7    3    1    8    179.974
   9    4    3    1      0.026
   9    4    3    7    179.974
  10    7    3    1      0.026
  10    7    3    4    179.974
  11    8    1    2    179.974
  11    8    1    3      0.026
   4    9   11    8      0.026
   9   11    8    1      0.026
   3    4    9   11      0.026