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(2-methoxy-3-pyridyl)boronic acid
(2-methoxy-3-pyridyl)boronic acid ID: AN-13807
CAS:163105-90-6
Supplier:AN PharmaTech Co Ltd

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SMILES:O(c1ncccc1B(O)O)C	2762709
FORMULA: C6H8BNO3
MASS: 152.9436
EXACT MASS: 153.0597235
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.0000     0.0000 
   O   3    1.7320     1.7321     0.0000 
   N   4    1.7320     3.4641     3.0000     0.0000 
   C   5    1.7321     1.7320     1.7321     1.7321     0.0000 
   C   6    1.0000     2.6458     2.0000     1.0000     1.0001     0.0000 
   C   7    2.6458     2.0000     2.6458     2.0000     1.0000     1.7321 
   C   8    3.0000     3.0000     3.4641     1.7321     1.7320     2.0000 
   C   9    2.6458     3.6055     3.6056     1.0001     2.0000     1.7321 
   C  10    1.0000     4.0000     2.6457     2.0000     2.6458     1.7320 
   B  11    2.0000     1.0000     1.0001     2.6458     1.0000     1.7321 
   H  12    3.1408     1.7732     2.8292     2.6200     1.4157     2.2901 
   H  13    3.6200     3.3533     4.0130     2.2901     2.2900     2.6200 
   H  14    3.1408     4.2100     4.2101     1.4158     2.6200     2.2901 
   H  15    1.1766     4.0478     2.5121     2.5557     2.9083     2.1114 
   H  16    1.6199     4.6200     3.2379     2.3715     3.2380     2.2900 
   H  17    1.1766     4.0477     2.9083     1.4955     2.5121     1.5200 
   H  18    3.3533     0.6200     1.8397     4.0131     2.2901     3.1408 
   H  19    2.2901     1.8397     0.6200     3.6200     2.2901     2.6200 

              C   7      C   8      C   9      C  10      B  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.7320     1.0000     0.0000 
   C  10    3.4641     3.6055     3.0000     0.0000 
   B  11    1.7320     2.6457     3.0000     3.0000     0.0000 
   H  12    0.6200     1.4158     2.2900     4.0130     1.8396     0.0000 
   H  13    1.4158     0.6200     1.4157     4.2100     3.1407     1.6200 
   H  14    2.2901     1.4158     0.6200     3.3533     3.6200     2.8059 
   H  15    3.8121     4.0750     3.5505     0.6200     3.0634     4.3170 
   H  16    4.0130     4.0601     3.3533     0.6200     3.6200     4.5801 
   H  17    3.1995     3.1879     2.4825     0.6200     3.0634     3.7869 
   H  18    2.6200     3.6200     4.2100     4.3433     1.4158     2.3716 
   H  19    3.1408     4.0131     4.2101     3.1407     1.4158     3.2380 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.6199     0.0000 
   H  15    4.6900     3.9391     0.0000 
   H  16    4.6468     3.6200     0.8768     0.0000 
   H  17    3.7711     2.7824     1.2399     0.8768     0.0000 
   H  18    3.9665     4.8185     4.3108     4.9591     4.4626     0.0000 
   H  19    4.5380     4.8185     2.9170     3.7058     3.4624     1.7321 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
   O   1    0.0000000000
   O   2    0.0000000000
   O   3    0.0000000000
   N   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   B  11    0.0000000000
   H  12    0.0000000000
   H  13    0.0000000000
   H  14    0.0000000000
   H  15    0.0000000000
   H  16    0.0000000000
   H  17    0.0000000000
   H  18    0.0000000000
   H  19    0.0000000000


BOND ANGLES
   6    1   10  Car   O3   C3    119.999
  11    2   18   B2   O3   HO    120.001
  11    3   19   B2   O3   HO    119.998
   6    4    9  Car  Nar  Car    119.998
   6    5    7  Car  Car  Car    120.001
   6    5   11  Car  Car   B2    119.998
   7    5   11  Car  Car   B2    120.001
   1    6    4   O3  Car  Nar    120.001
   1    6    5   O3  Car  Car    120.001
   4    6    5  Nar  Car  Car    119.998
   5    7    8  Car  Car  Car    120.001
   5    7   12  Car  Car   HC    119.998
   8    7   12  Car  Car   HC    120.002
   7    8    9  Car  Car  Car    120.001
   7    8   13  Car  Car   HC    120.002
   9    8   13  Car  Car   HC    119.998
   4    9    8  Nar  Car  Car    120.001
   4    9   14  Nar  Car   HC    119.998
   8    9   14  Car  Car   HC    120.001
   1   10   15   O3   C3   HC     90.001
   1   10   16   O3   C3   HC    179.974
   1   10   17   O3   C3   HC     89.999
  15   10   16   HC   C3   HC     90.000
  15   10   17   HC   C3   HC    179.974
  16   10   17   HC   C3   HC     90.000
   2   11    3   O3   B2   O3    120.001
   2   11    5   O3   B2  Car    120.001
   3   11    5   O3   B2  Car    119.998


TORSION ANGLES
  10    1    6    4      0.026
  10    1    6    5    179.974
   6    1   10   15    179.974
   6    1   10   16      0.026
   6    1   10   17      0.026
  18    2   11    3      0.026
  18    2   11    5    179.974
  19    3   11    2      0.026
  19    3   11    5    179.974
   9    4    6    1    179.974
   9    4    6    5      0.026
   6    4    9    8      0.026
   6    4    9   14    179.974
   7    5    6    1    179.974
   7    5    6    4      0.026
  11    5    6    1      0.026
  11    5    6    4    179.974
   6    5    7    8      0.026
   6    5    7   12    179.974
  11    5    7    8    179.974
  11    5    7   12      0.026
   6    5   11    2    179.974
   6    5   11    3      0.026
   7    5   11    2      0.026
   7    5   11    3    179.974
   5    7    8    9      0.026
   5    7    8   13    179.974
  12    7    8    9    179.974
  12    7    8   13      0.026
   7    8    9    4      0.026
   7    8    9   14    179.974
  13    8    9    4    179.974
  13    8    9   14      0.026