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methyl 2-(morpholin-2-yl)acetate hydrochloride
methyl 2-(morpholin-2-yl)acetate hydrochloride
ID: Cs00281
CAS:1187932-65-5
Supplier:Clousem

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SMILES:C1CNCC(O1)CC(=O)OC.Cl	
FORMULA: C7H14ClNO3
MASS: 195.6440
EXACT MASS: 195.0662210
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5231     0.0000 
   N   3    2.6380     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6380     1.5231     0.0000 
   O   6    1.5229     2.6379     3.0460     2.6379     1.5230     0.0000 
   C   7    4.0295     4.5690     4.0295     2.6379     1.5230     2.6380 
   C   8    5.2758     5.4913     4.5691     3.0460     2.6379     4.0295 
   O   9    5.4913     5.2758     4.0295     2.6379     3.0460     4.5690 
   O  10    6.6386     6.9793     6.0921     4.5690     4.0295     5.2759 
   C  11    7.9137     8.0589     6.9793     5.4913     5.2758     6.6386 
  Cl  12    3.8978     3.1542     1.6974     1.0274     2.5097     3.6561 

              C   7      C   8      O   9      O  10      C  11     Cl  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.5229     0.0000 
   O   9    2.6379     1.5231     0.0000 
   O  10    2.6379     1.5230     2.6379     0.0000 
   C  11    4.0294     2.6379     3.0460     1.5229     0.0000 
  Cl  12    3.3811     3.3648     2.4655     4.8388     5.5011     0.0000 




ATOMIC CHARGES
   C   1    0.1608671240
   C   2    0.1207703468
   N   3   -0.2128284184
   C   4    0.1187813669
   C   5    0.1437121536
   O   6   -0.3526655283
   C   7    0.1404590864
   C   8    0.3196438462
   O   9   -0.2500117057
   O  10   -0.4443297334
   C  11    0.2556014619
  Cl  12    0.0000000000


BOND ANGLES
   2    1    6   C3   C3   O3    119.998
   1    2    3   C3   C3   N3    120.001
   2    3    4   C3   N3   C3    120.000
   3    4    5   N3   C3   C3    119.999
   4    5    6   C3   C3   O3    119.996
   4    5    7   C3   C3   C3    119.996
   6    5    7   O3   C3   C3    120.008
   1    6    5   C3   O3   C3    120.006
   5    7    8   C3   C3   C2    120.006
   7    8    9   C3   C2   O2    119.998
   7    8   10   C3   C2   O3    120.006
   9    8   10   O2   C2   O3    119.996
   8   10   11   C2   O3   C3    120.006


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


CHIRAL ATOMS
   9    8   10   11      0.026