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Products Information

3-hydroxy acetophenone
3-hydroxy acetophenone ID: B187220
CAS:121-71-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(C(=O)C)cc(O)ccc1	
FORMULA: C8H8O2
MASS: 136.1479
EXACT MASS: 136.0524295
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7411     0.0000 
   C   3    0.7417     1.2843     0.0000 
   O   4    1.2807     0.7375     1.9581     0.0000 
   C   5    1.2822     1.9587     0.7375     2.5629     0.0000 
   O   6    1.9568     2.5629     1.2786     3.2230     0.7375     0.0000 
   C   7    0.7375     1.2792     1.2822     1.4766     1.4833     2.2208 
   C   8    1.2833     1.9604     1.4822     2.2213     1.2864     1.9595 
   C   9    1.2792     0.7375     1.4787     1.2786     2.2162     2.6639 
   C  10    1.4822     2.2233     1.2833     2.6699     0.7447     1.2827 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    0.7447     0.0000 
   C   9    1.9522     2.5625     0.0000 
   C  10    1.2864     0.7417     2.6677     0.0000 



ATOMIC CHARGES
   C   1    0.0378916146
   C   2    0.1735894116
   C   3    0.0448665093
   O   4   -0.2913247604
   C   5    0.1958359396
   O   6   -0.2865689975
   C   7    0.0030464419
   C   8    0.0033724856
   C   9    0.0772609351
   C  10    0.0420304203


BOND ANGLES
   2    1    3   C2  Car  Car    120.021
   2    1    7   C2  Car  Car    119.795
   3    1    7  Car  Car  Car    120.184
   1    2    4  Car   C2   O2    120.021
   1    2    9  Car   C2   C3    119.795
   4    2    9   O2   C2   C3    120.184
   1    3    5  Car  Car  Car    120.184
   3    5    6  Car  Car   O3    120.184
   3    5   10  Car  Car  Car    119.952
   6    5   10   O3  Car  Car    119.863
   1    7    8  Car  Car  Car    119.952
   7    8   10  Car  Car  Car    119.863
   5   10    8  Car  Car  Car    119.863


TORSION ANGLES
   4    2    1    3    179.974
   4    2    1    7      0.026
   9    2    1    3      0.026
   9    2    1    7    179.974
   5    3    1    2    179.974
   5    3    1    7      0.026
   6    5    3    1    179.974
  10    5    3    1      0.026
   8    7    1    2    179.974
   8    7    1    3      0.026
  10    8    7    1      0.026
   5   10    8    7      0.026
   3    5   10    8      0.026
   6    5   10    8    179.974