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2,4,6-Trihydroxy-1,3,5-triazine
2,4,6-Trihydroxy-1,3,5-triazine ID: B184435
CAS:108-80-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(nc(nc1O)O)O	
FORMULA: C3H3N3O3
MASS: 129.0742
EXACT MASS: 129.0174410
INTERATOMIC DISTANCES

              N   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.2921     0.0000 
   N   3    1.3000     1.2921     0.0000 
   C   4    1.5008     0.7463     0.7500     0.0000 
   C   5    0.7500     0.7463     1.5008     1.3000     0.0000 
   C   6    0.7546     1.5000     0.7546     1.3065     1.3065     0.0000 
   O   7    1.3065     2.2500     1.3065     1.9923     1.9923     0.7500 
   O   8    1.2993     1.3000     2.2512     1.9857     0.7504     1.9912 
   O   9    2.2512     1.3000     1.2993     0.7504     1.9857     1.9912 

              O   7      O   8      O   9
              ---------------------------------
   O   7    0.0000 
   O   8    2.6057     0.0000 
   O   9    2.6057     2.6000     0.0000 



ATOMIC CHARGES
   N   1   -0.1341689964
   N   2   -0.1341689964
   N   3   -0.1341689964
   C   4    0.3764957658
   C   5    0.3764957658
   C   6    0.3764957658
   O   7   -0.2423267694
   O   8   -0.2423267694
   O   9   -0.2423267694


BOND ANGLES
   5    1    6  Car  Nar  Car    120.528
   4    2    5  Car  Nar  Car    121.141
   4    3    6  Car  Nar  Car    120.528
   3    4    9  Nar  Car   O3    119.982
   2    4    3  Nar  Car  Nar    119.430
   2    4    9  Nar  Car   O3    120.589
   1    5    2  Nar  Car  Nar    119.430
   2    5    8  Nar  Car   O3    120.589
   1    5    8  Nar  Car   O3    119.982
   1    6    3  Nar  Car  Nar    118.945
   3    6    7  Nar  Car   O3    120.528
   1    6    7  Nar  Car   O3    120.528


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