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2,3,5-Trimethylphenol
2,3,5-Trimethylphenol ID: CHB83138
CAS:697-82-5
Supplier:ChemiK Co.,Ltd.

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SMILES:c1(c(c(cc(c1)C)C)C)O	
FORMULA: C9H12O
MASS: 136.1910
EXACT MASS: 136.0888150
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8463     0.0000 
   C   3    1.4657     0.8462     0.0000 
   C   4    1.6924     1.4656     0.8462     0.0000 
   C   5    1.4658     1.6925     1.4657     0.8462     0.0000 
   C   6    0.8462     1.4657     1.6924     1.4657     0.8463     0.0000 
   C   7    2.2390     2.5387     2.2389     1.4657     0.8462     1.4658 
   C   8    2.2389     1.4657     0.8463     1.4657     2.2389     2.5387 
   C   9    1.4658     0.8463     1.4657     2.2389     2.5388     2.2390 
   O  10    0.8463     1.4658     2.2389     2.5387     2.2390     1.4657 

              C   7      C   8      C   9      O  10
              --------------------------------------------
   C   7    0.0000 
   C   8    2.9314     0.0000 
   C   9    3.3850     1.6925     0.0000 
   O  10    2.9315     2.9315     1.6926     0.0000 



ATOMIC CHARGES
   C   1    0.1911054505
   C   2    0.0131182219
   C   3   -0.0230464485
   C   4   -0.0086232000
   C   5   -0.0190048541
   C   6    0.0374230811
   C   7    0.0311213396
   C   8    0.0307901203
   C   9    0.0340461998
   O  10   -0.2869299106


BOND ANGLES
   2    1    6  Car  Car  Car    119.998
   2    1   10  Car  Car   O3    120.005
   6    1   10  Car  Car   O3    119.998
   1    2    3  Car  Car  Car    120.001
   1    2    9  Car  Car   C3    119.998
   3    2    9  Car  Car   C3    120.001
   2    3    4  Car  Car  Car    120.001
   2    3    8  Car  Car   C3    120.001
   4    3    8  Car  Car   C3    119.998
   3    4    5  Car  Car  Car    120.007
   4    5    6  Car  Car  Car    119.990
   4    5    7  Car  Car   C3    120.007
   6    5    7  Car  Car   C3    120.004
   1    6    5  Car  Car  Car    120.004


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