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Glycidyl phenyl ether 2-(phenoxymethyl)oxirane
Glycidyl phenyl ether
2-(phenoxymethyl)oxirane ID: BBC/357
CAS:122-60-1
Supplier:Aronis

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SMILES:O1C(C1)COc1ccccc1	
FORMULA: C9H10O2
MASS: 150.1745
EXACT MASS: 150.0680796
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    1.3221     0.0000 
   C   3    1.3292     1.3200     0.0000 
   C   4    2.5673     1.3375     2.5662     0.0000 
   O   5    3.1806     2.3133     3.6333     1.3380     0.0000 
   C   6    4.4941     3.5224     4.8251     2.3025     1.3250     0.0000 
   C   7    5.1723     3.9875     5.1718     2.6500     2.3025     1.3380 
   C   8    5.3842     4.6054     5.9254     3.5117     2.2921     1.3200 
   C   9    6.5010     5.3250     6.5005     3.9875     3.5224     2.3133 
   C  10    6.6708     5.8022     7.1147     4.6054     3.5156     2.3029 
   C  11    7.1464     6.0993     7.3591     4.7931     3.9875     2.6625 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    2.3042     0.0000 
   C   9    1.3375     2.6643     0.0000 
   C  10    2.6643     1.3375     2.3042     0.0000 
   C  11    2.3133     2.3029     1.3380     1.3200     0.0000 



ATOMIC CHARGES
   O   1   -0.3471290295
   C   2    0.1881827209
   C   3    0.1755439175
   C   4    0.2372516814
   O   5   -0.4727476848
   C   6    0.1386735135
   C   7    0.0368993984
   C   8    0.0368993984
   C   9    0.0031122596
   C  10    0.0031122596
   C  11    0.0002015651


BOND ANGLES
   2    1    3   C3   O3   C3     59.717
   1    2    4   O3   C3   C3    149.717
   1    2    3   O3   C3   C3     60.408
   3    2    4   C3   C3   C3    149.874
   1    3    2   O3   C3   C3     59.874
   2    4    5   C3   C3   O3    119.678
   4    5    6   C3   O3  Car    119.678
   5    6    7   O3  Car  Car    119.678
   5    6    8   O3  Car  Car    120.126
   7    6    8  Car  Car  Car    120.196
   6    7    9  Car  Car  Car    119.678
   6    8   10  Car  Car  Car    120.126
   7    9   11  Car  Car  Car    119.678
   8   10   11  Car  Car  Car    120.126
   9   11   10  Car  Car  Car    120.196


TORSION ANGLES
   4    2    1    3    179.974
   3    2    1    3      0.026
   2    3    1    2      0.026
   5    4    2    1      0.026
   5    4    2    3    179.974
   6    5    4    2    179.974
   7    6    5    4      0.026
   8    6    5    4    179.974
   9    7    6    5    179.974
   9    7    6    8      0.026
  10    8    6    5    179.974
  10    8    6    7      0.026
  11    9    7    6      0.026
  11   10    8    6      0.026
   9   11   10    8      0.026
   1    2    3    1      0.026
   4    2    3    1    179.974
   7    9   11   10      0.026


CHIRAL ATOMS
   7    9   11   10      0.026