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4-methoxypicolinaldehyde
4-methoxypicolinaldehyde
ID: Cs00237
CAS:16744-81-3
Supplier:Clousem

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SMILES:c1cnc(cc1OC)C=O	
FORMULA: C7H7NO2
MASS: 137.1360
EXACT MASS: 137.0476785
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   N   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   O   7    2.6334     4.0245     4.5638     4.0246     2.6334     1.5178 
   C   8    4.0205     5.2667     5.4825     4.5611     3.0381     2.6288 
   C   9    4.5637     4.0245     2.6334     1.5177     2.6333     4.0245 
   O  10    5.4825     5.2667     4.0206     2.6288     3.0381     4.5611 

              O   7      C   8      C   9      O  10
              --------------------------------------------
   O   7    0.0000 
   C   8    1.5177     0.0000 
   C   9    5.2667     5.4810     0.0000 
   O  10    5.4811     5.2667     1.5177     0.0000 



ATOMIC CHARGES
   C   1    0.0575590581
   C   2    0.1020691106
   N   3   -0.2402890984
   C   4    0.1264481351
   C   5    0.0593936423
   C   6    0.1418970901
   O   7   -0.4713235808
   C   8    0.2524684934
   C   9    0.2532372355
   O  10   -0.2814600859


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   1    2    3  Car  Car  Nar    120.001
   2    3    4  Car  Nar  Car    120.000
   3    4    5  Nar  Car  Car    119.999
   3    4    9  Nar  Car   C2    120.003
   5    4    9  Car  Car   C2    119.998
   4    5    6  Car  Car  Car    119.999
   1    6    5  Car  Car  Car    120.000
   5    6    7  Car  Car   O3    119.999
   1    6    7  Car  Car   O3    120.001
   6    7    8  Car   O3   C3    119.998
   4    9   10  Car   C2   O2    120.005


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