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1-ethyl-2-methylbenzene
1-ethyl-2-methylbenzene ID: B187270
CAS:611-14-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(CC)cccc1)C	
FORMULA: C9H12
MASS: 120.1916
EXACT MASS: 120.0939004
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7500     0.0000 
   C   3    1.2993     0.7504     0.0000 
   C   4    0.7504     1.2993     1.5000     0.0000 
   C   5    0.7463     1.2921     1.9787     1.3000     0.0000 
   C   6    1.2993     0.7504     1.3000     1.9849     1.4917     0.0000 
   C   7    1.5008     1.3000     0.7504     1.2993     2.2471     1.9857 
   C   8    1.3000     1.5008     2.2512     1.9857     0.7463     1.2993 
   C   9    1.5008     1.3000     1.9857     2.2512     1.2921     0.7504 

              C   7      C   8      C   9
              ---------------------------------
   C   7    0.0000 
   C   8    2.7060     0.0000 
   C   9    2.6000     0.7500     0.0000 



ATOMIC CHARGES
   C   1   -0.0257990742
   C   2   -0.0261265224
   C   3    0.0260448768
   C   4    0.0306972115
   C   5   -0.0045664654
   C   6   -0.0045767528
   C   7    0.0050112893
   C   8   -0.0003422176
   C   9   -0.0003423452


BOND ANGLES
   2    1    4  Car  Car   C3    119.982
   2    1    5  Car  Car  Car    119.430
   4    1    5   C3  Car  Car    120.589
   1    2    3  Car  Car   C3    119.982
   1    2    6  Car  Car  Car    119.982
   3    2    6   C3  Car  Car    120.037
   2    3    7  Car   C3   C3    120.037
   1    5    8  Car  Car  Car    121.141
   2    6    9  Car  Car  Car    120.037
   5    8    9  Car  Car  Car    119.430
   6    9    8  Car  Car  Car    119.982


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