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potassium methyl sulfate
potassium methyl sulfate ID: AN-45937
CAS:562-54-9
Supplier:AN PharmaTech Co Ltd

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SMILES:[K+].S(=O)(=O)(OC)[O-]	2733094
FORMULA: CH3KO4S
MASS: 150.1954
EXACT MASS: 149.9389113
INTERATOMIC DISTANCES

              K   1      S   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   K   1    0.0000 
   S   2    1.7320     0.0000 
   O   3    2.6458     1.0001     0.0000 
   O   4    1.0000     1.0000     2.0000     0.0000 
   O   5    1.5059     1.0000     1.4143     1.4142     0.0000 
   O   6    2.3941     1.0000     1.4142     1.4142     2.0000     0.0000 
   C   7    3.4641     1.7321     1.0000     2.6458     2.3942     1.5060 
   H   8    3.1995     1.5201     1.1766     2.2884     2.3796     0.9791 
   H   9    4.0130     2.2901     1.6199     3.1408     3.0084     1.8543 
   H  10    3.8121     2.1115     1.1766     3.0874     2.5633     2.0848 

              C   7      H   8      H   9      H  10
              --------------------------------------------
   C   7    0.0000 
   H   8    0.6200     0.0000 
   H   9    0.6200     0.8768     0.0000 
   H  10    0.6200     1.2399     0.8768     0.0000 



ATOMIC CHARGES
   K   1    0.0000000000
   S   2    0.0000000000
   O   3    0.0000000000
   O   4   -0.3300000000
   O   5   -0.3300000000
   O   6   -0.3300000000
   C   7    0.0000000000
   H   8    0.0000000000
   H   9    0.0000000000
   H  10    0.0000000000


BOND ANGLES
   3    2    4   O3  Sac   O-    179.974
   3    2    5   O3  Sac   O2     90.003
   3    2    6   O3  Sac   O2     89.997
   4    2    5   O-  Sac   O2     90.000
   4    2    6   O-  Sac   O2     90.000
   5    2    6   O2  Sac   O2    179.974
   2    3    7  Sac   O3   C3    120.001
   3    7    8   O3   C3   HC     89.999
   3    7    9   O3   C3   HC    179.974
   3    7   10   O3   C3   HC     90.001
   8    7    9   HC   C3   HC     90.000
   8    7   10   HC   C3   HC    179.974
   9    7   10   HC   C3   HC     90.000


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