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azetidine-3-carboxylic acid
azetidine-3-carboxylic acid
ID: BP-11676
CAS:36476-78-5
Supplier:BroadPharm

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SMILES:C(=O)(C1CNC1)O	
FORMULA: C4H7NO2
MASS: 101.1039
EXACT MASS: 101.0476785
INTERATOMIC DISTANCES

              C   1      C   2      N   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5981     0.0000 
   N   3    1.4467     0.8485     0.0000 
   O   4    0.5993     1.0360     1.8216     0.0000 
   C   5    1.1058     0.6000     0.6000     1.6228     0.0000 
   C   6    1.1081     0.6000     0.6000     1.3260     0.8485     0.0000 
   O   7    0.5953     1.0350     1.8197     1.0341     1.3233     1.6221 

              O   7
              -----------
   O   7    0.0000 



ATOMIC CHARGES
   C   1    0.3671515868
   C   2    0.1379888289
   N   3   -0.2167986918
   O   4   -0.2455641541
   C   5    0.1013932922
   C   6    0.1013932922
   O   7   -0.2455641541


BOND ANGLES
   2    1    4   C3  Cac O.co2    119.812
   2    1    7   C3  Cac O.co2    120.266
   4    1    7 O.co2  Cac O.co2    119.922
   1    2    5  Cac   C3   C3    134.722
   1    2    6  Cac   C3   C3    135.278
   5    2    6   C3   C3   C3     90.000
   5    3    6   C3   N3   C3     90.000
   2    5    3   C3   C3   N3     90.000
   2    6    3   C3   C3   N3     90.000


TORSION ANGLES
   5    2    1    4    179.974
   5    2    1    7      0.026
   6    2    1    4      0.026
   6    2    1    7    179.974
   5    3    6    2      0.026
   3    5    2    1    179.974
   3    5    2    6      0.026
   3    6    2    1    179.974
   3    6    2    5      0.026
   2    5    3    6      0.026