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6-methoxypyridazine-3-carboxylic acid
6-methoxypyridazine-3-carboxylic acid ID: AN-40153
CAS:56434-28-7
Supplier:AN PharmaTech Co Ltd

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SMILES:O(c1nnc(cc1)C(=O)O)C	12214461
FORMULA: C6H6N2O3
MASS: 154.1234
EXACT MASS: 154.0378421
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    4.5826     0.0000 
   O   3    4.5826     1.7321     0.0000 
   N   4    2.6458     2.6458     2.0000     0.0000 
   N   5    1.7321     3.4641     2.9999     1.0000     0.0000 
   C   6    2.6458     2.0000     2.6457     1.7320     2.0000     0.0000 
   C   7    1.7321     3.0000     3.4641     2.0000     1.7320     1.0000 
   C   8    3.0000     1.7321     1.7320     1.0000     1.7320     1.0000 
   C   9    1.0001     3.6055     3.6055     1.7320     1.0000     1.7320 
   C  10    4.0000     1.0001     1.0000     1.7320     2.6457     1.7320 
   C  11    1.0000     5.2915     5.0000     3.0000     2.0000     3.4641 
   H  12    3.1409     1.7732     2.8292     2.2901     2.6200     0.6201 
   H  13    1.8397     3.3533     4.0130     2.6200     2.2901     1.4158 
   H  14    1.1766     4.9081     4.4738     2.4825     1.4956     3.1995 
   H  15    1.6199     5.7745     5.3370     3.3533     2.3716     4.0130 
   H  16    1.1766     5.7167     5.5456     3.5505     2.5558     3.8121 
   H  17    5.1928     0.6200     1.8397     3.1408     4.0130     2.6200 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     2.0000     0.0000 
   C  10    2.6457     1.0000     2.9999     0.0000 
   C  11    2.6458     3.6055     1.7321     4.5826     0.0000 
   H  12    1.4158     1.4158     2.2901     1.8397     4.0131     0.0000 
   H  13    0.6200     2.2901     1.4158     3.1407     2.8292     1.6200 
   H  14    2.5121     3.1879     1.5201     4.1339     0.6200     3.7870 
   H  15    3.2380     4.0601     2.2901     5.0104     0.6200     4.5802 
   H  16    2.9083     4.0750     2.1115     5.0675     0.6200     4.3171 
   H  17    3.6200     2.2901     4.2100     1.4158     5.8809     2.3715 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    2.8250     0.0000 
   H  15    3.4457     0.8768     0.0000 
   H  16    2.9660     1.2399     0.8768     0.0000 
   H  17    3.9665     5.4779     6.3492     6.3190     0.0000 



ATOMIC CHARGES
   O   1   -0.4786647815
   O   2   -0.4760306473
   O   3   -0.2433377822
   N   4   -0.1391418817
   N   5   -0.1108074256
   C   6   -0.0224337080
   C   7    0.0037500365
   C   8    0.1698552262
   C   9    0.2341486331
   C  10    0.3571155592
   C  11    0.0804529445
   H  12    0.0643201484
   H  13    0.0671760822
   H  14    0.0660466749
   H  15    0.0660466749
   H  16    0.0660466749
   H  17    0.2954575714


BOND ANGLES
   9    1   11  Car   O3   C3    120.001
  10    2   17   C2   O3   HO    120.000
   5    4    8  Nar  Nar  Car    119.999
   4    5    9  Nar  Nar  Car    120.001
   7    6    8  Car  Car  Car    120.001
   7    6   12  Car  Car   HC    120.002
   8    6   12  Car  Car   HC    119.997
   6    7    9  Car  Car  Car    119.999
   6    7   13  Car  Car   HC    120.001
   9    7   13  Car  Car   HC    120.001
   4    8    6  Nar  Car  Car    120.001
   4    8   10  Nar  Car   C2    119.999
   6    8   10  Car  Car   C2    120.001
   1    9    5   O3  Car  Nar    119.998
   1    9    7   O3  Car  Car    120.001
   5    9    7  Nar  Car  Car    120.001
   2   10    3   O3   C2   O2    119.998
   2   10    8   O3   C2  Car    120.001
   3   10    8   O2   C2  Car    120.001
   1   11   14   O3   C3   HC     89.999
   1   11   15   O3   C3   HC    179.974
   1   11   16   O3   C3   HC     90.001
  14   11   15   HC   C3   HC     90.000
  14   11   16   HC   C3   HC    179.974
  15   11   16   HC   C3   HC     90.000


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