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1,2,4-Trihydroxybenzene
1,2,4-Trihydroxybenzene ID: AC-12373
CAS:533-73-3
Supplier:Hangzhou APIChem Technology Co., Limited

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SMILES:c1(cc(ccc1O)O)O	
FORMULA: C6H6O3
MASS: 126.1100
EXACT MASS: 126.0316941
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8233     0.0000 
   C   3    0.8233     1.4250     0.0000 
   C   4    1.4316     1.6487     0.8292     0.0000 
   C   5    1.4316     0.8292     1.6487     1.4250     0.0000 
   O   6    0.8250     1.4301     1.4259     2.1847     2.1874     0.0000 
   C   7    1.6542     1.4316     1.4316     0.8233     0.8233     2.4792 
   O   8    1.4292     2.1811     0.8269     1.4337     2.4756     1.6466 
   O   9    2.1833     1.4316     2.4720     2.1769     0.8233     2.8617 

              C   7      O   8      O   9
              ---------------------------------
   C   7    0.0000 
   O   8    2.1861     0.0000 
   O   9    1.4250     3.2989     0.0000 



ATOMIC CHARGES
   C   1    0.2374464545
   C   2    0.0873652402
   C   3    0.2344651778
   C   4    0.0486757816
   C   5    0.1991512702
   O   6   -0.2830325259
   C   7    0.0455267919
   O   8   -0.2831404351
   O   9   -0.2864577552


BOND ANGLES
   2    1    3  Car  Car  Car    119.863
   2    1    6  Car  Car   O3    120.360
   3    1    6  Car  Car   O3    119.777
   1    2    5  Car  Car  Car    120.069
   1    3    4  Car  Car  Car    120.069
   1    3    8  Car  Car   O3    120.009
   4    3    8  Car  Car   O3    119.923
   3    4    7  Car  Car  Car    120.069
   2    5    9  Car  Car   O3    120.069
   2    5    7  Car  Car  Car    120.069
   7    5    9  Car  Car   O3    119.863
   4    7    5  Car  Car  Car    119.863


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