Sign In Join Free

Products Information

Dimethyl phosphonate
Dimethyl phosphonate ID: API-42657
CAS:868-85-9
Supplier:APIchem

Get a quote


SMILES:[P+](=O)(OC)OC	ChemMol.com
FORMULA: C2H6O3P+
MASS: 109.0410
EXACT MASS: 109.0054557
TOTAL CHARGE: 1
INTERATOMIC DISTANCES

              P   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   P   1    0.0000 
   O   2    1.0001     0.0000 
   O   3    1.0000     1.7321     0.0000 
   O   4    1.0000     1.7321     1.7320     0.0000 
   C   5    1.7320     2.6458     1.0000     2.0000     0.0000 
   C   6    1.7321     1.0000     2.6458     2.0000     3.4641     0.0000 
   H   7    2.1114     2.9083     1.1766     2.5557     0.6200     3.8121 
   H   8    2.2900     3.2380     1.6199     2.3715     0.6200     4.0130 
   H   9    1.5200     2.5121     1.1766     1.4955     0.6200     3.1995 
   H  10    1.5201     1.1766     2.5121     1.4956     3.1995     0.6200 
   H  11    2.2901     1.6199     3.2380     2.3716     4.0130     0.6200 
   H  12    2.1115     1.1766     2.9083     2.5558     3.8121     0.6200 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.8768     0.0000 
   H   9    1.2399     0.8768     0.0000 
   H  10    3.6267     3.6980     2.8441     0.0000 
   H  11    4.3934     4.5379     3.6980     0.8768     0.0000 
   H  12    4.0841     4.3934     3.6267     1.2399     0.8768     0.0000 




ATOMIC CHARGES
   P   1    0.7543380742
   O   2   -0.1350752769
   O   3   -0.1350752769
   O   4   -0.0089496366
   C   5    0.0912773122
   C   6    0.0912773122
   H   7    0.0570345820
   H   8    0.0570345820
   H   9    0.0570345820
   H  10    0.0570345820
   H  11    0.0570345820
   H  12    0.0570345820


BOND ANGLES
   2    1    3   O3    P   O3    120.001
   2    1    4   O3    P   O2    119.998
   3    1    4   O3    P   O2    120.001
   1    2    6    P   O3   C3    120.001
   1    3    5    P   O3   C3    119.999
   3    5    7   O3   C3   HC     90.001
   3    5    8   O3   C3   HC    179.974
   3    5    9   O3   C3   HC     89.999
   7    5    8   HC   C3   HC     90.000
   7    5    9   HC   C3   HC    179.974
   8    5    9   HC   C3   HC     90.000
   2    6   10   O3   C3   HC     89.999
   2    6   11   O3   C3   HC    179.974
   2    6   12   O3   C3   HC     90.001
  10    6   11   HC   C3   HC     90.000
  10    6   12   HC   C3   HC    179.974
  11    6   12   HC   C3   HC     90.000


TORSION ANGLES
   3    1    2    6    179.974
   4    1    2    6      0.026
   2    1    3    5    179.974
   4    1    3    5      0.026
   1    2    6   10      0.026
   1    2    6   11      0.026
   1    2    6   12    179.974
   1    3    5    7    179.974
   1    3    5    8      0.026
   1    3    5    9      0.026