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3-imidazo[1,2-a]pyridin-2-ylpropanoic acid
3-imidazo[1,2-a]pyridin-2-ylpropanoic acid
ID: BP-11219
CAS:887405-28-9
Supplier:BroadPharm

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SMILES:n12c(nc(c1)CCC(=O)O)cccc2	
FORMULA: C10H10N2O2
MASS: 190.1986
EXACT MASS: 190.0742276
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2500     0.0000 
   N   3    2.0228     1.2491     0.0000 
   C   4    2.0239     2.0239     1.2526     0.0000 
   C   5    1.2491     2.0228     2.0250     1.2526     0.0000 
   C   6    1.2507     2.1654     3.2055     3.2577     2.2832     0.0000 
   C   7    2.1654     1.2507     2.2832     3.2577     3.2055     2.5000 
   C   8    5.0708     5.3311     4.3945     3.3074     3.8631     6.1356 
   C   9    2.1708     2.5050     3.7363     4.1432     3.3806     1.2543 
   C  10    2.5050     2.1708     3.3806     4.1432     3.7363     2.1676 
   O  11    5.8818     6.3263     5.5019     4.3330     4.6346     6.8207 
   C  12    3.2359     3.2359     2.2305     1.2500     2.2305     4.4380 
   C  13    3.8275     4.1663     3.3493     2.1654     2.6135     4.8861 
   O  14    5.7093     5.7093     4.6003     3.7500     4.6003     6.8729 

              C   7      C   8      C   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    6.5621     0.0000 
   C   9    2.1676     7.2353     0.0000 
   C  10    1.2543     7.4201     1.2500     0.0000 
   O  11    7.5747     1.2543     7.9966     8.3291     0.0000 
   C  12    4.4380     2.1654     5.3822     5.3822     3.3109     0.0000 
   C  13    5.4121     1.2500     5.9884     6.2104     2.1676     1.2507 
   O  14    6.8729     1.2507     7.8707     7.8707     2.1708     2.5000 

              C  13      O  14
              ----------------------
   C  13    0.0000 
   O  14    2.1654     0.0000 



ATOMIC CHARGES
   N   1   -0.2877554777
   C   2    0.1474251486
   N   3   -0.2307343566
   C   4    0.0786609940
   C   5    0.0961544714
   C   6    0.0814749424
   C   7    0.0374148865
   C   8    0.3652568710
   C   9    0.0191369925
   C  10    0.0046397187
   O  11   -0.2456410242
   C  12    0.0592207695
   C  13    0.1203870879
   O  14   -0.2456410242


BOND ANGLES
   2    1    5  Car  Nar  Car    108.072
   2    1    6  Car  Nar  Car    119.982
   5    1    6  Car  Nar  Car    131.945
   1    2    3  Nar  Car  Nar    108.072
   1    2    7  Nar  Car  Car    119.982
   3    2    7  Nar  Car  Car    131.945
   2    3    4  Car  Nar  Car    107.997
   5    4   12  Car  Car   C3    126.069
   3    4    5  Nar  Car  Car    107.861
   3    4   12  Nar  Car   C3    126.069
   1    5    4  Nar  Car  Car    107.997
   1    6    9  Nar  Car  Car    120.131
   2    7   10  Car  Car  Car    120.131
  11    8   13 O.co2  Cac   C3    119.887
  13    8   14   C3  Cac O.co2    119.982
  11    8   14 O.co2  Cac O.co2    120.131
   6    9   10  Car  Car  Car    119.887
   7   10    9  Car  Car  Car    119.887
   4   12   13  Car   C3   C3    119.982
   8   13   12  Cac   C3   C3    119.982


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