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(pyrimidin-4-yl)methanol
(pyrimidin-4-yl)methanol ID: B187246
CAS:33581-98-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1cnccc1CO	
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    1.2875     0.0000 
   C   3    0.7483     0.7375     0.0000 
   C   4    0.7500     1.4936     1.2978     0.0000 
   C   5    1.2931     1.2993     1.4959     0.7432     0.0000 
   C   6    1.4921     0.7542     1.2931     1.2917     0.7483     0.0000 
   O   7    1.4983     2.6946     2.2466     1.3001     1.9800     2.5918 
   C   8    1.2984     2.2471     1.9838     0.7535     1.3000     1.9834 

              O   7      C   8
              ----------------------
   O   7    0.0000 
   C   8    0.7454     0.0000 



ATOMIC CHARGES
   N   1   -0.2257106996
   N   2   -0.2224355360
   C   3    0.1986424421
   C   4    0.0953980794
   C   5    0.0380558937
   C   6    0.1019715236
   O   7   -0.2134547567
   C   8    0.2275330535


BOND ANGLES
   3    1    4  Car  Nar  Car    120.024
   3    2    6  Car  Nar  Car    120.184
   1    3    2  Nar  Car  Nar    120.113
   1    4    5  Nar  Car  Car    119.981
   1    4    8  Nar  Car   C3    119.440
   5    4    8  Car  Car   C3    120.579
   4    5    6  Car  Car  Car    119.996
   2    6    5  Nar  Car  Car    119.703
   4    8    7  Car   C3   O3    120.300


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