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2-hydroxy-6-methylbenzonitrile
2-hydroxy-6-methylbenzonitrile
ID: Cs00257
CAS:73289-66-4
Supplier:Clousem

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SMILES:c1ccc(c(c1O)C#N)C	
FORMULA: C8H7NO
MASS: 133.1473
EXACT MASS: 133.0527638
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   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    2.6380     4.0296     4.5691     4.0296     2.6380     1.5231 
   C   8    4.0295     4.5690     4.0295     2.6379     1.5230     2.6380 
   N   9    5.4912     6.0920     5.4913     4.0295     3.0460     4.0295 
   C  10    4.5690     4.0295     2.6380     1.5230     2.6379     4.0295 

              O   7      C   8      N   9      C  10
              --------------------------------------------
   O   7    0.0000 
   C   8    3.0461     0.0000 
   N   9    4.0295     1.5230     0.0000 
   C  10    5.2760     3.0460     4.0295     0.0000 



ATOMIC CHARGES
   C   1    0.0427153422
   C   2    0.0030003697
   C   3   -0.0033877367
   C   4   -0.0090898412
   C   5    0.1032898933
   C   6    0.2049070612
   O   7   -0.2858612640
   C   8    0.1033280040
   N   9   -0.1907381074
   C  10    0.0318362789


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   1    2    3  Car  Car  Car    120.001
   2    3    4  Car  Car  Car    120.000
   3    4    5  Car  Car  Car    119.999
   3    4   10  Car  Car   C3    120.002
   5    4   10  Car  Car   C3    119.999
   4    5    6  Car  Car  Car    119.999
   4    5    8  Car  Car   C1    119.999
   6    5    8  Car  Car   C1    120.002
   1    6    5  Car  Car  Car    120.000
   5    6    7  Car  Car   O3    119.999
   1    6    7  Car  Car   O3    120.001
   5    8    9  Car   C1   N1    179.974


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