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2,4,5-Trimethylbenzaldehyde
2,4,5-Trimethylbenzaldehyde ID: CHB18528
CAS:5779-72-6
Supplier:ChemiK Co.,Ltd.

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SMILES:C(=O)c1c(cc(c(c1)C)C)C	
FORMULA: C10H12O
MASS: 148.2017
EXACT MASS: 148.0888150
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8400     0.0000 
   C   3    1.4549     0.8400     0.0000 
   C   4    2.2225     1.4549     0.8400     0.0000 
   C   5    2.5200     1.6800     1.4549     0.8399     0.0000 
   C   6    2.2224     1.4549     1.6800     1.4549     0.8400     0.0000 
   C   7    1.4550     0.8400     1.4549     1.6800     1.4549     0.8399 
   O   8    0.8399     1.4549     1.6800     2.5200     3.0286     2.9098 
   C   9    2.9099     2.2224     2.5200     2.2224     1.4549     0.8400 
   C  10    3.3600     2.5200     2.2224     1.4549     0.8400     1.4549 
   C  11    1.6800     1.4549     0.8400     1.4550     2.2224     2.5200 

              C   7      O   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   O   8    2.2224     0.0000 
   C   9    1.4549     3.6615     0.0000 
   C  10    2.2224     3.8494     1.6800     0.0000 
   C  11    2.2225     1.4549     3.3600     2.9099     0.0000 



ATOMIC CHARGES
   C   1    0.2338270287
   C   2    0.0379329265
   C   3   -0.0189893171
   C   4   -0.0087217220
   C   5   -0.0260985376
   C   6   -0.0257067069
   C   7   -0.0015951492
   O   8   -0.2831556077
   C   9    0.0306983956
   C  10    0.0306871344
   C  11    0.0311215554


BOND ANGLES
   2    1    8  Car   C2   O2    119.999
   1    2    3   C2  Car  Car    119.999
   1    2    7   C2  Car  Car    120.003
   3    2    7  Car  Car  Car    119.999
   2    3    4  Car  Car  Car    119.999
   2    3   11  Car  Car   C3    119.999
   4    3   11  Car  Car   C3    120.003
   3    4    5  Car  Car  Car    119.999
   4    5    6  Car  Car  Car    120.002
   4    5   10  Car  Car   C3    119.999
   6    5   10  Car  Car   C3    119.999
   5    6    7  Car  Car  Car    120.002
   5    6    9  Car  Car   C3    119.999
   7    6    9  Car  Car   C3    119.999
   2    7    6  Car  Car  Car    119.999


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