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2-methylpyrimidin-5-ol
2-methylpyrimidin-5-ol ID: B187240
CAS:35231-56-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(ncc(c1)O)C	
FORMULA: C5H6N2O
MASS: 110.1139
EXACT MASS: 110.0480128
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.2956     0.0000 
   C   3    0.7458     0.7504     0.0000 
   C   4    1.2875     1.2894     1.4879     0.0000 
   C   5    0.7463     1.4875     1.2885     0.7354     0.0000 
   C   6    1.4879     0.7396     1.2875     0.7458     1.2822     0.0000 
   O   7    1.9719     1.9673     2.2342     0.7463     1.2875     1.2885 
   C   8    1.2894     1.2875     0.7396     2.2275     1.9673     1.9612 

              O   7      C   8
              ----------------------
   O   7    0.0000 
   C   8    2.9738     0.0000 



ATOMIC CHARGES
   N   1   -0.2257913395
   N   2   -0.2257913395
   C   3    0.1398590188
   C   4    0.2337745422
   C   5    0.1437614937
   C   6    0.1437614937
   O   7   -0.2832277923
   C   8    0.0736539229


BOND ANGLES
   3    1    5  Car  Nar  Car    119.430
   3    2    6  Car  Nar  Car    119.553
   1    3    2  Nar  Car  Nar    119.982
   2    3    8  Nar  Car   C3    119.553
   1    3    8  Nar  Car   C3    120.466
   5    4    6  Car  Car  Car    119.908
   5    4    7  Car  Car   O3    120.662
   6    4    7  Car  Car   O3    119.430
   1    5    4  Nar  Car  Car    120.662
   2    6    4  Nar  Car  Car    120.466


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