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D(+)-Malic acid
D(+)-Malic acid ID: API-41832
CAS:636-61-3
Supplier:APIchem

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SMILES:OC(CC(=O)O)C(=O)O	ChemMol.com
FORMULA: C4H6O5
MASS: 134.0874
EXACT MASS: 134.0215233
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.0000     0.0000 
   O   3    3.0000     4.3590     0.0000 
   O   4    2.6457     1.7321     3.6055     0.0000 
   O   5    1.7320     3.6055     1.7321     3.6055     0.0000 
   C   6    1.0000     1.7321     2.6458     1.7320     2.0000     0.0000 
   C   7    1.7320     2.6458     1.7321     2.0000     1.7320     1.0000 
   C   8    1.7320     1.0001     3.4641     1.0000     2.9999     1.0000 
   C   9    2.0000     3.4641     1.0001     2.9999     1.0000     1.7320 
   H  10    0.8743     1.2347     3.2380     1.8397     2.3716     0.6201 
   H  11    2.0295     2.4060     2.1829     1.4332     2.3450     1.0812 
   H  12    2.3450     3.1512     1.4156     2.1943     2.0295     1.5967 
   H  13    0.6200     2.6200     2.7431     3.1407     1.2347     1.4158 
   H  14    2.6200     0.6200     4.8708     1.8397     4.2100     2.2901 
   H  15    3.3533     4.8708     0.6200     4.2100     1.8397     3.1408 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     2.6457     0.0000 
   H  10    1.6200     0.8743     2.2901     0.0000 
   H  11    0.6199     1.4155     1.5967     1.6309     0.0000 
   H  12    0.6199     2.1828     1.0812     2.2128     0.7970     0.0000 
   H  13    1.8397     2.2900     1.7732     1.4674     2.2860     2.3980 
   H  14    3.1408     1.4158     4.0130     1.8396     2.8161     3.5955 
   H  15    2.2901     4.0130     1.4158     3.7059     2.7806     2.0285 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    3.2400     0.0000 
   H  15    3.0000     5.4053     0.0000 



ATOMIC CHARGES
   O   1   -0.3800607834
   O   2   -0.4788146479
   O   3   -0.4805417385
   O   4   -0.2480734282
   O   5   -0.2509105696
   C   6    0.1613962190
   C   7    0.0811015750
   C   8    0.3341769855
   C   9    0.3077398471
   H  10    0.0715545975
   H  11    0.0408574072
   H  12    0.0408574072
   H  13    0.2105278790
   H  14    0.2951368670
   H  15    0.2950523832


BOND ANGLES
   6    1   13   C3   O3   HO    120.002
   8    2   14   C2   O3   HO    120.000
   9    3   15   C2   O3   HO    120.000
   1    6    7   O3   C3   C3    120.001
   1    6    8   O3   C3   C2    120.001
   1    6   10   O3   C3   HC     60.003
   7    6    8   C3   C3   C2    119.999
   7    6   10   C3   C3   HC    179.974
   8    6   10   C2   C3   HC     59.998
   6    7    9   C3   C3   C2    119.999
   6    7   11   C3   C3   HC     80.000
   6    7   12   C3   C3   HC    160.002
   9    7   11   C2   C3   HC    160.002
   9    7   12   C2   C3   HC     80.000
  11    7   12   HC   C3   HC     80.002
   2    8    4   O3   C2   O2    119.998
   2    8    6   O3   C2   C3    120.001
   4    8    6   O2   C2   C3    120.001
   3    9    5   O3   C2   O2    119.998
   3    9    7   O3   C2   C3    120.001
   5    9    7   O2   C2   C3    120.001


TORSION ANGLES
  13    1    6    7      0.026
  13    1    6    8    179.974
  13    1    6   10    179.974
  14    2    8    4      0.026
  14    2    8    6    179.974
  15    3    9    5      0.026
  15    3    9    7    179.974
   1    6    7    9      0.026
   1    6    7   11    179.974
   1    6    7   12    179.974
   8    6    7    9    179.974
   8    6    7   11      0.026
   8    6    7   12      0.026
  10    6    7    9    179.974
  10    6    7   11      0.026
  10    6    7   12      0.026
   1    6    8    2      0.026
   1    6    8    4    179.974
   7    6    8    2    179.974
   7    6    8    4      0.026
  10    6    8    2      0.026
  10    6    8    4    179.974
   6    7    9    3    179.974
   6    7    9    5      0.026
  11    7    9    3      0.026
  11    7    9    5    179.974
  12    7    9    3      0.026
  12    7    9    5    179.974


CHIRAL ATOMS
  12    7    9    5    179.974