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(6-methoxy-3-pyridyl)boronic acid
(6-methoxy-3-pyridyl)boronic acid ID: AN-039
CAS:163105-89-3
Supplier:AN PharmaTech Co Ltd

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SMILES:O(c1ncc(cc1)B(O)O)C	2734368
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    4.5826     0.0000 
   O   3    4.5826     1.7321     0.0000 
   N   4    1.7321     3.0000     3.4641     0.0000 
   C   5    3.0000     1.7321     1.7320     1.7320     0.0000 
   C   6    2.6458     2.6458     2.0000     2.0000     1.0000     0.0000 
   C   7    1.7320     3.4642     3.0000     1.7321     1.7321     1.0001 
   C   8    1.0000     3.6056     3.6056     1.0001     2.0000     1.7321 
   C   9    2.6458     2.0000     2.6457     1.0000     1.0000     1.7320 
   C  10    1.0000     5.2915     5.0000     2.6458     3.6055     3.0000 
   B  11    4.0000     1.0001     1.0000     2.6457     1.0000     1.7320 
   H  12    3.1408     2.8292     1.7732     2.6200     1.4158     0.6200 
   H  13    1.8397     4.0131     3.3533     2.2901     2.2901     1.4158 
   H  14    3.1408     1.7733     2.8292     1.4157     1.4158     2.2900 
   H  15    1.1766     4.9081     4.4738     2.5121     3.1879     2.4825 
   H  16    1.6199     5.7745     5.3370     3.2380     4.0601     3.3533 
   H  17    1.1766     5.7167     5.5456     2.9083     4.0750     3.5505 
   H  18    5.1928     0.6200     1.8397     3.6200     2.2901     3.1408 
   H  19    5.1928     1.8397     0.6201     4.0130     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    2.0000     1.7321     0.0000 
   C  10    2.0000     1.7320     3.4641     0.0000 
   B  11    2.6458     3.0000     1.7320     4.5826     0.0000 
   H  12    1.4158     2.2901     2.2901     3.3533     1.8396     0.0000 
   H  13    0.6200     1.4158     2.6200     1.7732     3.1408     1.6200 
   H  14    2.6200     2.2901     0.6200     4.0130     1.8397     2.8059 
   H  15    1.4955     1.5200     3.1995     0.6200     4.1339     2.7824 
   H  16    2.3715     2.2900     4.0130     0.6200     5.0104     3.6200 
   H  17    2.5557     2.1114     3.8121     0.6200     5.0675     3.9391 
   H  18    4.0131     4.2101     2.6200     5.8809     1.4158     3.2380 
   H  19    3.6201     4.2101     3.1408     5.6200     1.4158     2.3716 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    3.2400     0.0000 
   H  15    1.1752     3.7869     0.0000 
   H  16    2.0000     4.5801     0.8768     0.0000 
   H  17    2.3825     4.3170     1.2399     0.8768     0.0000 
   H  18    4.5380     2.3716     5.4779     6.3492     6.3190     0.0000 
   H  19    3.9666     3.2380     5.0926     5.9543     6.1647     1.7320 

              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
   8    1   10  Car   O3   C3    119.999
  11    2   18   B2   O3   HO    120.000
  11    3   19   B2   O3   HO    119.997
   8    4    9  Car  Nar  Car    120.001
   6    5    9  Car  Car  Car    120.001
   6    5   11  Car  Car   B2    119.999
   9    5   11  Car  Car   B2    120.001
   5    6    7  Car  Car  Car    120.001
   5    6   12  Car  Car   HC    120.001
   7    6   12  Car  Car   HC    119.998
   6    7    8  Car  Car  Car    119.998
   6    7   13  Car  Car   HC    120.000
   8    7   13  Car  Car   HC    120.002
   1    8    4   O3  Car  Nar    120.001
   1    8    7   O3  Car  Car    120.001
   4    8    7  Nar  Car  Car    119.998
   4    9    5  Nar  Car  Car    120.001
   4    9   14  Nar  Car   HC    119.998
   5    9   14  Car  Car   HC    120.002
   1   10   15   O3   C3   HC     89.999
   1   10   16   O3   C3   HC    179.974
   1   10   17   O3   C3   HC     90.001
  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    119.998
   2   11    5   O3   B2  Car    120.001
   3   11    5   O3   B2  Car    120.001


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