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3-Hydroxypicolinic acid
3-Hydroxypicolinic acid ID: API-42705
CAS:874-24-8
Supplier:APIchem

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SMILES:Oc1c(nccc1)C(=O)O	ChemMol.com
FORMULA: C6H5NO3
MASS: 139.1088
EXACT MASS: 139.0269430
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.0000     0.0000 
   O   3    1.7321     1.7320     0.0000 
   N   4    2.6458     2.0000     2.6457     0.0000 
   C   5    1.7321     1.7320     1.7320     1.0000     0.0000 
   C   6    1.0001     2.6457     2.0000     1.7320     1.0000     0.0000 
   C   7    1.7321     3.4641     3.0000     2.0000     1.7320     1.0000 
   C   8    2.6458     3.6055     3.6055     1.7320     2.0000     1.7320 
   C   9    3.0000     3.0000     3.4641     1.0000     1.7320     2.0000 
   C  10    2.0000     1.0000     1.0000     1.7320     1.0000     1.7320 
   H  11    1.8397     4.0130     3.3533     2.6200     2.2901     1.4158 
   H  12    3.1408     4.2100     4.2100     2.2901     2.6200     2.2901 
   H  13    3.6201     3.3533     4.0130     1.4158     2.2901     2.6200 
   H  14    0.6200     3.6200     2.2901     3.1408     2.2901     1.4158 
   H  15    3.3533     0.6200     1.8396     2.6200     2.2901     3.1407 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.7320     1.0000     0.0000 
   C  10    2.6457     3.0000     2.6457     0.0000 
   H  11    0.6201     1.4158     2.2901     3.1408     0.0000 
   H  12    1.4158     0.6200     1.4158     3.6200     1.6200     0.0000 
   H  13    2.2901     1.4158     0.6201     3.1408     2.8060     1.6200 
   H  14    1.8397     2.8292     3.3533     2.6200     1.7320     3.2380 
   H  15    4.0130     4.2100     3.6200     1.4158     4.5380     4.8185 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    3.9666     0.0000 
   H  15    3.9665     3.9665     0.0000 



ATOMIC CHARGES
   O   1   -0.5043986427
   O   2   -0.4759862087
   O   3   -0.2432660449
   N   4   -0.2451641589
   C   5    0.1888872280
   C   6    0.1491667208
   C   7   -0.0163893242
   C   8   -0.0400976570
   C   9    0.0287372406
   C  10    0.3589639995
   H  11    0.0655122669
   H  12    0.0633787452
   H  13    0.0829618585
   H  14    0.2922355919
   H  15    0.2954583850


BOND ANGLES
   6    1   14  Car   O3   HO    120.000
  10    2   15   C2   O3   HO    120.001
   5    4    9  Car  Nar  Car    120.001
   4    5    6  Nar  Car  Car    119.999
   4    5   10  Nar  Car   C2    120.001
   6    5   10  Car  Car   C2    120.001
   1    6    5   O3  Car  Car    120.001
   1    6    7   O3  Car  Car    119.998
   5    6    7  Car  Car  Car    120.001
   6    7    8  Car  Car  Car    120.001
   6    7   11  Car  Car   HC    119.997
   8    7   11  Car  Car   HC    120.002
   7    8    9  Car  Car  Car    119.999
   7    8   12  Car  Car   HC    120.001
   9    8   12  Car  Car   HC    120.001
   4    9    8  Nar  Car  Car    120.001
   4    9   13  Nar  Car   HC    119.997
   8    9   13  Car  Car   HC    120.002
   2   10    3   O3   C2   O2    119.999
   2   10    5   O3   C2  Car    120.001
   3   10    5   O2   C2  Car    120.001


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