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3,5-Dimethylbenzaldehyde
3,5-Dimethylbenzaldehyde ID: CHB18509
CAS:5779-95-3
Supplier:ChemiK Co.,Ltd.

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SMILES:C(=O)c1cc(cc(c1)C)C	
FORMULA: C9H10O
MASS: 134.1751
EXACT MASS: 134.0731649
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8325     0.0000 
   C   3    1.4420     0.8326     0.0000 
   C   4    2.2026     1.4420     0.8325     0.0000 
   C   5    2.4975     1.6650     1.4419     0.8325     0.0000 
   C   6    2.2026     1.4419     1.6650     1.4419     0.8324     0.0000 
   C   7    1.4419     0.8325     1.4419     1.6650     1.4419     0.8325 
   O   8    0.8325     1.4419     1.6650     2.4975     3.0016     2.8838 
   C   9    2.8838     2.2026     2.4975     2.2026     1.4419     0.8325 
   C  10    2.8839     2.2026     1.4419     0.8325     1.4420     2.2026 

              C   7      O   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   O   8    2.2026     0.0000 
   C   9    1.4419     3.6287     0.0000 
   C  10    2.4975     3.0016     2.8839     0.0000 



ATOMIC CHARGES
   C   1    0.2341314134
   C   2    0.0415866509
   C   3   -0.0009890948
   C   4   -0.0220601766
   C   5   -0.0085100392
   C   6   -0.0220601766
   C   7   -0.0009890948
   O   8   -0.2831449581
   C   9    0.0310177379
   C  10    0.0310177379


BOND ANGLES
   2    1    8  Car   C2   O2    119.996
   1    2    3   C2  Car  Car    120.002
   1    2    7   C2  Car  Car    120.005
   3    2    7  Car  Car  Car    119.993
   2    3    4  Car  Car  Car    120.002
   3    4    5  Car  Car  Car    119.996
   3    4   10  Car  Car   C3    119.996
   5    4   10  Car  Car   C3    120.008
   4    5    6  Car  Car  Car    120.005
   5    6    7  Car  Car  Car    119.999
   5    6    9  Car  Car   C3    120.005
   7    6    9  Car  Car   C3    119.996
   2    7    6  Car  Car  Car    120.005


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