Sign In Join Free

Products Information

4-Acetamidobenzaldehyde
4-Acetamidobenzaldehyde ID: CHB18525
CAS:122-85-0
Supplier:ChemiK Co.,Ltd.

Get a quote


SMILES:C(=O)c1ccc(cc1)NC(=O)C	
FORMULA: C9H9NO2
MASS: 163.1733
EXACT MASS: 163.0633285
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    2.2224     1.4549     0.8399     0.0000 
   C   5    2.5200     1.6800     1.4549     0.8400     0.0000 
   C   6    2.2224     1.4549     1.6800     1.4549     0.8400     0.0000 
   C   7    1.4549     0.8399     1.4549     1.6800     1.4549     0.8400 
   O   8    0.8399     1.4549     1.6800     2.5199     3.0286     2.9098 
   C   9    3.8494     3.0286     2.9098     2.2224     1.4549     1.6800 
   C  10    4.6770     3.8494     3.6615     2.9099     2.2224     2.5200 
   O  11    3.6615     2.9098     3.0286     2.5200     1.6800     1.4549 
   N  12    3.3600     2.5200     2.2224     1.4550     0.8400     1.4549 

              C   7      O   8      C   9      C  10      O  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.2223     0.0000 
   C   9    2.5200     4.4448     0.0000 
   C  10    3.3600     5.2458     0.8400     0.0000 
   O  11    2.2224     4.3647     0.8400     1.4549     0.0000 
   N  12    2.2225     3.8494     0.8399     1.4549     1.4549     0.0000 




ATOMIC CHARGES
   C   1    0.2341524636
   C   2    0.0422954141
   C   3    0.0046212766
   C   4    0.0167000674
   C   5    0.0733672644
   C   6    0.0167000674
   C   7    0.0046212766
   O   8   -0.2831446848
   C   9    0.2460607578
   C  10    0.0967972537
   O  11   -0.2729716045
   N  12   -0.1791995523


BOND ANGLES
   2    1    8  Car   C2   O2    119.999
   1    2    3   C2  Car  Car    119.999
   1    2    7   C2  Car  Car    119.999
   3    2    7  Car  Car  Car    120.002
   2    3    4  Car  Car  Car    120.002
   3    4    5  Car  Car  Car    119.999
   4    5    6  Car  Car  Car    119.999
   4    5   12  Car  Car  Nam    120.003
   6    5   12  Car  Car  Nam    119.999
   5    6    7  Car  Car  Car    119.999
   2    7    6  Car  Car  Car    119.999
  10    9   11   C3   C2   O2    119.999
  10    9   12   C3   C2  Nam    119.999
  11    9   12   O2   C2  Nam    120.002
   5   12    9  Car  Nam   C2    119.999


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