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(2-HYDROXYPHENYL)BORONIC ACID
(2-HYDROXYPHENYL)BORONIC ACID
ID: BP-12123
CAS:89466-08-0
Supplier:BroadPharm

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SMILES:c1(B(O)O)c(O)cccc1	
FORMULA: C6H7BO3
MASS: 137.9290
EXACT MASS: 138.0488245
INTERATOMIC DISTANCES

              C   1      B   2      C   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   B   2    1.4450     0.0000 
   C   3    1.4375     2.4978     0.0000 
   O   4    2.4762     1.4125     3.7872     0.0000 
   O   5    2.4833     1.4243     2.8756     2.4570     0.0000 
   O   6    2.4941     2.8833     1.4429     4.2958     2.4967     0.0000 
   C   7    1.4271     2.4792     2.4874     2.8533     3.7803     3.8026 
   C   8    2.4838     3.8026     1.4250     4.9599     4.3006     2.4792 
   C   9    2.4750     3.7949     2.8622     4.2947     4.9583     4.3051 
   C  10    2.8622     4.3072     2.4750     5.1630     5.1660     3.7941 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    2.8833     0.0000 
   C   9    1.4414     2.4920     0.0000 
   C  10    2.4957     1.4393     1.4375     0.0000 



ATOMIC CHARGES
   C   1    0.0000000000
   B   2    0.0000000000
   C   3    0.0000000000
   O   4    0.0000000000
   O   5    0.0000000000
   O   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000


BOND ANGLES
   2    1    3   B2  Car  Car    120.114
   2    1    7   B2  Car  Car    119.354
   3    1    7  Car  Car  Car    120.533
   1    2    4  Car   B2   O3    120.114
   1    2    5  Car   B2   O3    119.870
   4    2    5   O3   B2   O3    120.016
   1    3    6  Car  Car   O3    119.969
   1    3    8  Car  Car  Car    120.387
   6    3    8   O3  Car  Car    119.643
   1    7    9  Car  Car  Car    119.270
   3    8   10  Car  Car  Car    119.560
   7    9   10  Car  Car  Car    120.197
   8   10    9  Car  Car  Car    120.053


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