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Methyl 4-aminobenzoate
Methyl 4-aminobenzoate ID: B187217
CAS:619-45-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(=O)(c1ccc(N)cc1)OC	
FORMULA: C8H9NO2
MASS: 151.1626
EXACT MASS: 151.0633285
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7504     0.0000 
   O   3    0.7500     1.2993     0.0000 
   C   4    1.3000     0.7504     1.5008     0.0000 
   C   5    1.2993     0.7500     1.9845     1.2993     0.0000 
   C   6    2.2512     1.5008     2.7052     1.2993     1.3000     0.0000 
   O   7    0.7504     1.3000     1.2993     1.9857     1.5008     2.7060 
   N   8    3.0017     2.2512     3.4384     1.9849     1.9857     0.7504 
   C   9    1.9849     1.2993     2.5986     1.5000     0.7504     0.7504 
   C  10    1.9857     1.3000     2.2512     0.7504     1.5008     0.7500 
   C  11    1.3000     1.9857     1.5008     2.6000     2.2512     3.4392 

              O   7      N   8      C   9      C  10      C  11
              -------------------------------------------------------
   O   7    0.0000 
   N   8    3.4392     0.0000 
   C   9    2.2512     1.3000     0.0000 
   C  10    2.6000     1.2993     1.2993     0.0000 
   C  11    0.7504     4.1785     3.0017     3.2716     0.0000 



ATOMIC CHARGES
   C   1    0.3413225268
   C   2    0.0757337826
   O   3   -0.2448925979
   C   4    0.0078214057
   C   5    0.0078214057
   C   6    0.0890977146
   O   7   -0.4413272109
   N   8   -0.1280572497
   C   9    0.0182648287
   C  10    0.0182648287
   C  11    0.2559505657


BOND ANGLES
   2    1    3  Car   C2   O2    119.982
   2    1    7  Car   C2   O3    120.037
   3    1    7   O2   C2   O3    119.982
   1    2    4   C2  Car  Car    120.037
   1    2    5   C2  Car  Car    119.982
   4    2    5  Car  Car  Car    119.982
   2    4   10  Car  Car  Car    120.037
   2    5    9  Car  Car  Car    119.982
   8    6    9  Npl  Car  Car    120.037
   9    6   10  Car  Car  Car    119.982
   8    6   10  Npl  Car  Car    119.982
   1    7   11   C2   O3   C3    120.037
   5    9    6  Car  Car  Car    120.037
   4   10    6  Car  Car  Car    119.982


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