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ethoxymethylbenzene (ethoxymethyl)benzene
ethoxymethylbenzene
(ethoxymethyl)benzene ID: BBC/360
CAS:539-30-0
Supplier:Aronis

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SMILES:c1(COCC)ccccc1	
FORMULA: C9H12O
MASS: 136.1910
EXACT MASS: 136.0888150
INTERATOMIC DISTANCES

              C   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    2.3083     0.0000 
   C   3    1.3385     1.3272     0.0000 
   C   4    3.5154     1.3221     2.2917     0.0000 
   C   5    1.3272     3.5196     2.3083     4.6000     0.0000 
   C   6    1.3376     2.6612     2.3122     3.9833     2.3133     0.0000 
   C   7    4.6083     2.3000     3.5107     1.3303     5.7939     4.7923 
   C   8    2.3029     3.9920     3.5247     5.3141     2.6625     1.3308 
   C   9    2.2917     4.6000     3.5154     5.7817     1.3221     2.6621 
   C  10    2.6534     4.7928     3.9920     6.0842     2.3029     2.3042 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    6.0948     0.0000 
   C   9    6.9000     2.3034     0.0000 
   C  10    7.0324     1.3272     1.3333     0.0000 



ATOMIC CHARGES
   C   1    0.0072654823
   O   2   -0.3490062723
   C   3    0.1685822597
   C   4    0.1427082445
   C   5   -0.0018522096
   C   6   -0.0018522096
   C   7    0.0346628587
   C   8   -0.0002450374
   C   9   -0.0002450374
   C  10   -0.0000180789


BOND ANGLES
   3    1    5   C3  Car  Car    119.978
   3    1    6   C3  Car  Car    119.541
   5    1    6  Car  Car  Car    120.481
   3    2    4   C3   O3   C3    119.771
   1    3    2  Car   C3   O3    119.978
   2    4    7   O3   C3   C3    120.260
   1    5    9  Car  Car  Car    119.771
   1    6    8  Car  Car  Car    119.320
   6    8   10  Car  Car  Car    120.199
   5    9   10  Car  Car  Car    120.283
   8   10    9  Car  Car  Car    119.946


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