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2-Allyloxybenzaldehyde 2-(allyloxy)benzaldehyde
2-Allyloxybenzaldehyde
2-(allyloxy)benzaldehyde ID: BBC/365
CAS:28752-82-1
Supplier:Aronis

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SMILES:c1(c(OCC=C)cccc1)C=O	
FORMULA: C10H10O2
MASS: 162.1852
EXACT MASS: 162.0680796
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.3364     0.0000 
   C   3    1.3298     2.3041     0.0000 
   O   4    2.3043     3.5230     1.3324     0.0000 
   C   5    3.9875     3.5130     3.5092     4.5973     0.0000 
   C   6    4.7942     4.6027     3.9833     4.7871     1.3277     0.0000 
   O   7    2.3133     1.3334     2.6616     3.9940     2.2962     3.5124 
   C   8    2.6625     2.3056     2.2962     3.5113     1.3250     2.2972 
   C   9    1.3292     2.3076     2.3086     2.6684     5.3167     6.0938 
   C  10    2.3000     1.3221     3.5113     4.6042     4.5970     5.7868 
   C  11    2.3077     2.6625     3.5274     4.0049     6.0921     7.0377 
   C  12    2.6565     2.2993     3.9863     4.7969     5.7879     6.9020 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    1.3344     0.0000 
   C   9    3.5263     3.9917     0.0000 
   C  10    2.3008     3.5156     2.6565     0.0000 
   C  11    3.9959     4.7992     1.3365     2.2994     0.0000 
   C  12    3.5182     4.6048     2.3000     1.3292     1.3221     0.0000 




ATOMIC CHARGES
   C   1    0.0761366502
   C   2    0.1421548331
   C   3    0.2371775746
   O   4   -0.2830361845
   C   5    0.0206621875
   C   6   -0.0011050554
   O   7   -0.4705462492
   C   8    0.2317882951
   C   9    0.0063283347
   C  10    0.0370202621
   C  11    0.0003042503
   C  12    0.0031151015


BOND ANGLES
   2    1    3  Car  Car   C2    119.577
   2    1    9  Car  Car  Car    119.920
   3    1    9   C2  Car  Car    120.503
   1    2    7  Car  Car   O3    120.101
   1    2   10  Car  Car  Car    119.800
   7    2   10   O3  Car  Car    120.099
   1    3    4  Car   C2   O2    119.885
   6    5    8   C2   C2   C3    119.988
   2    7    8  Car   O3   C3    119.587
   5    8    7   C2   C3   O3    119.409
   1    9   11  Car  Car  Car    119.924
   2   10   12  Car  Car  Car    120.279
   9   11   12  Car  Car  Car    119.793
  10   12   11  Car  Car  Car    120.283


TORSION ANGLES
   7    2    1    3      0.026
   7    2    1    9    179.974
  10    2    1    3    179.974
  10    2    1    9      0.026
   4    3    1    2    179.974
   4    3    1    9      0.026
   6    5    8    7    179.974
   8    7    2    1      0.026
   8    7    2   10    179.974
   5    8    7    2    179.974
  11    9    1    2      0.026
  11    9    1    3    179.974
  12   10    2    1      0.026
  12   10    2    7    179.974
  12   11    9    1      0.026
  10   12   11    9      0.026
  11   12   10    2      0.026