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Acetylenedicarboxylic acid monopotassium salt
Acetylenedicarboxylic acid monopotassium salt ID: API-42838
CAS:928-04-1
Supplier:APIchem

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SMILES:[K+].[O-]C(=O)C#CC(=O)O	ChemMol.com
FORMULA: C4HKO4
MASS: 152.1466
EXACT MASS: 151.9511902
INTERATOMIC DISTANCES

              K   1      O   2      O   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   K   1    0.0000 
   O   2    1.0000     0.0000 
   O   3    5.2915     4.3590     0.0000 
   O   4    2.0000     1.7321     4.0000     0.0000 
   O   5    5.0000     4.0000     1.7321     4.3589     0.0000 
   C   6    1.7321     1.0001     3.6055     1.0000     3.6055     0.0000 
   C   7    2.6458     1.7321     2.6458     1.7320     2.6457     1.0000 
   C   8    4.5826     3.6055     1.0001     3.6055     1.0000     2.9999 
   C   9    3.6055     2.6458     1.7321     2.6457     1.7320     2.0000 
   H  10    5.8809     4.9340     0.6200     4.6200     1.8397     4.2100 

              C   7      C   8      C   9      H  10
              --------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.0000     0.0000 
   H  10    3.2380     1.4158     2.2901     0.0000 



ATOMIC CHARGES
   K   1    0.0000000000
   O   2   -0.5000000000
   O   3    0.0000000000
   O   4   -0.5000000000
   O   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   H  10    0.0000000000


BOND ANGLES
   8    3   10   C2   O3   HO    120.000
   2    6    4 O.co2  Cac O.co2    119.998
   2    6    7 O.co2  Cac   C1    120.001
   4    6    7 O.co2  Cac   C1    120.001
   6    7    9  Cac   C1   C1    179.974
   3    8    5   O3   C2   O2    119.998
   3    8    9   O3   C2   C1    120.001
   5    8    9   O2   C2   C1    120.001
   7    9    8   C1   C1   C2    179.974


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