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Products Information

pyrimidin-5-ol
pyrimidin-5-ol ID: B187245
CAS:26456-59-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1cncc(O)c1	
FORMULA: C4H4N2O
MASS: 96.0874
EXACT MASS: 96.0323628
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.2958     0.0000 
   C   3    0.7483     0.7447     0.0000 
   C   4    1.2931     1.3035     1.4959     0.0000 
   O   5    1.9804     1.9872     2.2458     0.7500     0.0000 
   C   6    1.4993     0.7542     1.2972     0.7555     1.2998     0.0000 
   C   7    0.7500     1.5008     1.2978     0.7432     1.2951     1.3000 

              C   7
              -----------
   C   7    0.0000 



ATOMIC CHARGES
   N   1   -0.2190376284
   N   2   -0.2190376284
   C   3    0.1991137261
   C   4    0.2337978767
   O   5   -0.2832275066
   C   6    0.1441955804
   C   7    0.1441955804


BOND ANGLES
   3    1    7  Car  Nar  Car    120.024
   3    2    6  Car  Nar  Car    119.863
   1    3    2  Nar  Car  Nar    120.434
   5    4    7   O3  Car  Car    120.301
   6    4    7  Car  Car  Car    120.307
   5    4    6   O3  Car  Car    119.391
   2    6    4  Nar  Car  Car    119.391
   1    7    4  Nar  Car  Car    119.981


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