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glycerol
glycerol ID: AN-23563
CAS:56-81-5
Supplier:AN PharmaTech Co Ltd

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SMILES:OC(CO)CO	753
FORMULA: C3H8O3
MASS: 92.0938
EXACT MASS: 92.0473441
INTERATOMIC DISTANCES

              O   1      O   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.0000     0.0000 
   O   3    2.0000     3.4641     0.0000 
   C   4    1.0000     1.7320     1.7321     0.0000 
   C   5    1.7320     1.0000     2.6458     1.0000     0.0000 
   C   6    1.7320     2.6457     1.0001     1.0000     1.7320     0.0000 
   H   7    0.8743     1.2347     2.2901     0.6200     0.8743     1.6199 
   H   8    2.3451     1.0813     3.1512     1.5967     0.6200     2.1828 
   H   9    2.0296     1.5967     2.4060     1.0813     0.6200     1.4156 
   H  10    2.0296     2.4059     1.5968     1.0813     1.4156     0.6200 
   H  11    2.3452     3.1512     1.0813     1.5968     2.1829     0.6201 
   H  12    0.6201     2.6200     1.7732     1.4158     2.2901     1.8397 
   H  13    2.6200     0.6201     4.0131     2.2901     1.4158     3.1408 
   H  14    2.6200     4.0130     0.6200     2.2901     3.1408     1.4158 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    1.4767     0.0000 
   H   9    1.2869     0.7970     0.0000 
   H  10    1.6310     1.7320     0.9350     0.0000 
   H  11    2.2128     2.5291     1.7321     0.7971     0.0000 
   H  12    1.4674     2.9097     2.4960     2.2861     2.3980     0.0000 
   H  13    1.8397     1.2047     1.9203     2.8161     3.5956     3.2401 
   H  14    2.8736     3.5955     2.8161     1.9203     1.2046     2.3715 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    4.5380     0.0000 



ATOMIC CHARGES
   O   1   -0.3872512001
   O   2   -0.3923876658
   O   3   -0.3923876658
   C   4    0.1011624747
   C   5    0.0722854647
   C   6    0.0722854647
   H   7    0.0639057429
   H   8    0.0583492681
   H   9    0.0583492681
   H  10    0.0583492681
   H  11    0.0583492681
   H  12    0.2099748858
   H  13    0.2095077134
   H  14    0.2095077134


BOND ANGLES
   4    1   12   C3   O3   HO    119.997
   5    2   13   C3   O3   HO    120.002
   6    3   14   C3   O3   HO    120.000
   1    4    5   O3   C3   C3    120.001
   1    4    6   O3   C3   C3    120.001
   1    4    7   O3   C3   HC     59.998
   5    4    6   C3   C3   C3    119.999
   5    4    7   C3   C3   HC     60.002
   6    4    7   C3   C3   HC    179.974
   2    5    4   O3   C3   C3    119.999
   2    5    8   O3   C3   HC     80.006
   2    5    9   O3   C3   HC    159.996
   4    5    8   C3   C3   HC    159.996
   4    5    9   C3   C3   HC     80.006
   8    5    9   HC   C3   HC     79.990
   3    6    4   O3   C3   C3    120.001
   3    6   10   O3   C3   HC    159.993
   3    6   11   O3   C3   HC     79.996
   4    6   10   C3   C3   HC     80.006
   4    6   11   C3   C3   HC    160.003
  10    6   11   HC   C3   HC     79.997


TORSION ANGLES
  12    1    4    5    179.974
  12    1    4    6      0.026
  12    1    4    7    179.974
  13    2    5    4    179.974
  13    2    5    8      0.026
  13    2    5    9      0.026
  14    3    6    4    179.974
  14    3    6   10      0.026
  14    3    6   11      0.026
   1    4    5    2      0.026
   1    4    5    8    179.974
   1    4    5    9    179.974
   6    4    5    2    179.974
   6    4    5    8      0.026
   6    4    5    9      0.026
   7    4    5    2      0.026
   7    4    5    8    179.974
   7    4    5    9    179.974
   1    4    6    3      0.026
   1    4    6   10    179.974
   1    4    6   11    179.974
   5    4    6    3    179.974
   5    4    6   10      0.026
   5    4    6   11      0.026
   7    4    6    3      0.026
   7    4    6   10    179.974
   7    4    6   11    179.974