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2-methylpyrimidin-4(3H)-one
2-methylpyrimidin-4(3H)-one ID: B187233
CAS:19875-04-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:[nH]1c(=O)ccnc1C	
FORMULA: C5H6N2O
MASS: 110.1139
EXACT MASS: 110.0480128
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7375     0.0000 
   N   3    1.2859     1.4875     0.0000 
   C   4    0.7500     1.2894     0.7354     0.0000 
   C   5    1.2792     0.7411     1.2879     1.4829     0.0000 
   C   6    1.4787     1.2843     0.7432     1.2792     0.7417     0.0000 
   O   7    1.2822     0.7417     2.2292     1.9686     1.2843     1.9621 
   C   8    1.2972     1.9709     1.2833     0.7468     2.2296     1.9628 

              O   7      C   8
              ----------------------
   O   7    0.0000 
   C   8    2.5794     0.0000 



ATOMIC CHARGES
   N   1   -0.1929109824
   C   2    0.2819566223
   N   3   -0.2289281998
   C   4    0.1428389146
   C   5    0.0831745996
   C   6    0.1052054191
   O   7   -0.2651009922
   C   8    0.0737646188


BOND ANGLES
   2    1    4  Car  Nar  Car    120.184
   1    2    5  Nar  Car  Car    119.795
   1    2    7  Nar  Car   O2    120.184
   5    2    7  Car  Car   O2    120.021
   4    3    6  Car  Nar  Car    119.790
   1    4    3  Nar  Car  Nar    119.908
   3    4    8  Nar  Car   C3    119.949
   1    4    8  Nar  Car   C3    120.143
   2    5    6  Car  Car  Car    120.021
   3    6    5  Nar  Car  Car    120.301


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