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4,6-Dihydroxypyrimidine 4,6-pyrimidinediol
4,6-Dihydroxypyrimidine
4,6-pyrimidinediol ID: BBC/456
CAS:1193-24-4
Supplier:Aronis

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SMILES:n1c(cc(nc1)O)O	
FORMULA: C4H4N2O2
MASS: 112.0868
EXACT MASS: 112.0272774
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    2.3092     0.0000 
   C   3    2.3050     2.3000     0.0000 
   C   4    1.3235     2.6606     1.3375     0.0000 
   C   5    2.6625     1.3308     1.3235     2.3050     0.0000 
   C   6    1.3308     1.3375     2.6606     2.3000     2.3092     0.0000 
   O   7    2.2958     3.9878     2.3071     1.3272     3.5156     3.5130 
   O   8    3.9875     2.3004     2.2921     3.5156     1.3250     3.5210 

              O   7      O   8
              ----------------------
   O   7    0.0000 
   O   8    4.5991     0.0000 



ATOMIC CHARGES
   N   1   -0.1853262015
   N   2   -0.1853262015
   C   3    0.1249672958
   C   4    0.2856080735
   C   5    0.2856080735
   C   6    0.2044173689
   O   7   -0.2649742043
   O   8   -0.2649742043


BOND ANGLES
   4    1    6  Car  Nar  Car    120.108
   5    2    6  Car  Nar  Car    119.855
   4    3    5  Car  Car  Car    120.036
   1    4    3  Nar  Car  Car    120.036
   3    4    7  Car  Car   O3    119.946
   1    4    7  Nar  Car   O3    120.018
   2    5    8  Nar  Car   O3    120.033
   2    5    3  Nar  Car  Car    120.108
   3    5    8  Car  Car   O3    119.859
   1    6    2  Nar  Car  Nar    119.855


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