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5-hydroxy-3-methylpyridine-2-carbonitrile
5-hydroxy-3-methylpyridine-2-carbonitrile ID: B187297
CAS:228867-86-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(C#N)c(cc(c1)O)C	
FORMULA: C7H6N2O
MASS: 134.1353
EXACT MASS: 134.0480128
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.4895     0.0000 
   C   3    0.7411     1.2885     0.0000 
   C   4    1.2917     0.7417     0.7483     0.0000 
   C   5    1.2915     1.9727     0.7500     1.2956     0.0000 
   C   6    1.4875     2.5764     1.2879     1.9701     0.7391     0.0000 
   C   7    0.7447     2.2342     1.2875     1.9727     1.4900     1.2900 
   C   8    1.2864     2.6818     1.4859     2.2342     1.2875     0.7468 
   O   9    1.9614     3.4031     2.2233     2.9717     1.9588     1.2833 
   C  10    1.9736     2.2375     1.2972     1.4958     0.7468     1.2875 

              C   7      C   8      O   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    0.7417     0.0000 
   O   9    1.2822     0.7375     0.0000 
   C  10    2.2368     1.9709     2.5708     0.0000 



ATOMIC CHARGES
   N   1   -0.2304968361
   N   2   -0.1892690769
   C   3    0.1453788083
   C   4    0.1194299777
   C   5    0.0088562399
   C   6    0.0415835329
   C   7    0.1414905765
   C   8    0.2145007936
   O   9   -0.2849126393
   C  10    0.0334386236


BOND ANGLES
   3    1    7  Car  Nar  Car    120.116
   1    3    4  Nar  Car   C1    120.276
   1    3    5  Nar  Car  Car    120.021
   4    3    5   C1  Car  Car    119.703
   2    4    3   N1   C1  Car    119.703
   3    5   10  Car  Car   C3    120.143
   3    5    6  Car  Car  Car    119.746
   6    5   10  Car  Car   C3    120.111
   5    6    8  Car  Car  Car    120.111
   1    7    8  Nar  Car  Car    119.863
   6    8    7  Car  Car  Car    120.143
   6    8    9  Car  Car   O3    119.673
   7    8    9  Car  Car   O3    120.184


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