Sign In Join Free

Products Information

2,3-dihydroxypropanal
2,3-dihydroxypropanal ID: AN-23564
CAS:56-82-6
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:OC(CO)C=O	751
FORMULA: C3H6O3
MASS: 90.0779
EXACT MASS: 90.0316941
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     1.7321     1.7320     0.0000 
   C   5    1.7320     1.0001     2.6457     1.0000     0.0000 
   C   6    1.7320     2.6458     1.0000     1.0000     1.7320     0.0000 
   H   7    0.9341     2.5045     1.0828     0.8500     1.8500     0.9341 
   H   8    2.0296     1.5968     2.4059     1.0813     0.6200     1.4156 
   H   9    2.3452     1.0813     3.1512     1.5968     0.6201     2.1829 
   H  10    2.2901     2.8292     1.4158     1.4158     1.8396     0.6200 
   H  11    0.6201     1.7732     2.6200     1.4158     1.8397     2.2901 
   H  12    2.6200     0.6200     4.0130     2.2901     1.4158     3.1408 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    1.8463     0.0000 
   H   9    2.4419     0.7971     0.0000 
   H  10    1.5505     1.3414     2.1355     0.0000 
   H  11    1.5505     2.2861     2.3980     2.8059     0.0000 
   H  12    3.0937     1.9203     1.2046     3.2380     2.3715     0.0000 




ATOMIC CHARGES
   O   1   -0.3822861291
   O   2   -0.3920357802
   O   3   -0.2982115356
   C   4    0.1328306495
   C   5    0.0767563681
   C   6    0.1508308840
   H   7    0.0692961811
   H   8    0.0587044603
   H   9    0.0587044603
   H  10    0.1054486489
   H  11    0.2104398914
   H  12    0.2095219012


BOND ANGLES
   4    1   11   C3   O3   HO    119.997
   5    2   12   C3   O3   HO    120.000
   1    4    5   O3   C3   C3    120.001
   1    4    6   O3   C3   C2    120.001
   1    4    7   O3   C3   HC     59.999
   5    4    6   C3   C3   C2    119.999
   5    4    7   C3   C3   HC    179.974
   6    4    7   C2   C3   HC     60.001
   2    5    4   O3   C3   C3    120.001
   2    5    8   O3   C3   HC    159.993
   2    5    9   O3   C3   HC     79.996
   4    5    8   C3   C3   HC     80.006
   4    5    9   C3   C3   HC    160.003
   8    5    9   HC   C3   HC     79.997
   3    6    4   O2   C2   C3    119.999
   3    6   10   O2   C2   HC    120.001
   4    6   10   C3   C2   HC    120.001


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


CHIRAL ATOMS
   7    4    6   10    179.974