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1-Amino-cyclopropane-1-carboxylic acid hydrochloride
1-Amino-cyclopropane-1-carboxylic acid hydrochloride ID: API-9399
CAS:68781-13-5
Supplier:APIchem

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SMILES:C1(CC1)(C(=O)O)N.Cl	ChemMol.com
FORMULA: C4H8ClNO2
MASS: 137.5648
EXACT MASS: 137.0243562
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      O   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    1.5230     1.5230     0.0000 
   C   4    1.5230     2.1539     2.9422     0.0000 
   O   5    2.6379     3.6464     4.1609     1.5230     0.0000 
   O   6    2.6379     2.2936     3.6463     1.5230     2.6379     0.0000 
   N   7    1.5230     2.9423     2.1539     2.6379     3.0460     4.0295 
  Cl   8    5.7044     5.2418     6.6925     4.3739     4.7222     3.0840 

              N   7     Cl   8
              ----------------------
   N   7    0.0000 
  Cl   8    7.0084     0.0000 



ATOMIC CHARGES
   C   1    0.1699290210
   C   2    0.0306163599
   C   3    0.0306163599
   C   4    0.3799455963
   O   5   -0.2441192146
   O   6   -0.2441192146
   N   7   -0.1228689080
  Cl   8    0.0000000000


BOND ANGLES
   2    1    3   C3   C3   C3     59.998
   2    1    4   C3   C3  Cac     90.002
   2    1    7   C3   C3   N3    149.998
   3    1    4   C3   C3  Cac    150.000
   3    1    7   C3   C3   N3     90.000
   4    1    7  Cac   C3   N3    120.000
   1    2    3   C3   C3   C3     60.001
   1    3    2   C3   C3   C3     60.001
   5    4    6 O.co2  Cac O.co2    119.999
   1    4    5   C3  Cac O.co2    120.001
   1    4    6   C3  Cac O.co2    120.000


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