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4-Aminophenylacetic acid
4-Aminophenylacetic acid ID: B187201
CAS:1197-55-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(=O)(Cc1ccc(N)cc1)O	
FORMULA: C8H9NO2
MASS: 151.1626
EXACT MASS: 151.0633285
INTERATOMIC DISTANCES

              C   1      O   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.7504     0.0000 
   C   3    0.7504     1.3000     0.0000 
   C   4    1.2958     1.9816     0.7468     0.0000 
   C   5    2.7020     3.4352     2.2476     1.5008     0.0000 
   O   6    0.7500     1.2993     1.2993     1.4972     2.5958     0.0000 
   N   7    3.4352     4.1746     2.9980     2.2512     0.7504     3.2674 
   C   8    2.2476     2.9980     1.9822     1.2993     0.7504     1.9816 
   C   9    2.5958     3.2674     1.9816     1.3000     0.7500     2.7020 
   C  10    1.9816     2.5958     1.2958     0.7504     1.2993     2.2476 
   C  11    1.4972     2.2476     1.2972     0.7500     1.3000     1.2958 

              N   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   N   7    0.0000 
   C   8    1.3000     0.0000 
   C   9    1.2993     1.2993     0.0000 
   C  10    1.9849     1.5000     0.7504     0.0000 
   C  11    1.9857     0.7504     1.5008     1.2993     0.0000 



ATOMIC CHARGES
   C   1    0.3692189754
   O   2   -0.2452766575
   C   3    0.1403584253
   C   4   -0.0108630526
   C   5    0.0890728559
   O   6   -0.2452766575
   N   7   -0.1280575260
   C   8    0.0177462997
   C   9    0.0177462997
   C  10   -0.0023344812
   C  11   -0.0023344812


BOND ANGLES
   2    1    3 O.co2  Cac   C3    120.037
   2    1    6 O.co2  Cac O.co2    119.982
   3    1    6   C3  Cac O.co2    119.982
   1    3    4  Cac   C3  Car    119.876
   3    4   10   C3  Car  Car    119.876
   3    4   11   C3  Car  Car    120.143
  10    4   11  Car  Car  Car    119.982
   7    5    8  Npl  Car  Car    120.037
   8    5    9  Car  Car  Car    119.982
   7    5    9  Npl  Car  Car    119.982
   5    8   11  Car  Car  Car    120.037
   5    9   10  Car  Car  Car    119.982
   4   10    9  Car  Car  Car    120.037
   4   11    8  Car  Car  Car    119.982


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