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3-METHOXYPHENYLBORONIC ACID
3-METHOXYPHENYLBORONIC ACID
ID: BP-12122
CAS:10365-98-7
Supplier:BroadPharm

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SMILES:B(c1cc(OC)ccc1)(O)O	
FORMULA: C7H9BO3
MASS: 151.9556
EXACT MASS: 152.0644745
INTERATOMIC DISTANCES

              B   1      C   2      C   3      C   4      O   5      O   6
              ------------------------------------------------------------------
   B   1    0.0000 
   C   2    1.4357     0.0000 
   C   3    2.4828     1.4292     0.0000 
   C   4    3.7986     2.4849     1.4393     0.0000 
   O   5    1.4375     2.4900     3.7963     4.9748     0.0000 
   O   6    1.4323     2.4546     2.8193     4.2585     2.5120     0.0000 
   O   7    4.9677     3.7898     2.4849     1.4292     6.2535     5.1190 
   C   8    2.4875     1.4393     2.4849     2.8708     2.8730     3.7778 
   C   9    3.7941     2.4833     2.8652     2.4807     4.3051     4.9377 
   C  10    4.3009     2.8652     2.4833     1.4321     5.1716     5.1287 
   C  11    6.2376     4.9521     3.7814     2.4673     7.4421     6.5052 

              O   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   O   7    0.0000 
   C   8    4.3000     0.0000 
   C   9    3.7871     1.4321     0.0000 
   C  10    2.4807     2.4807     1.4292     0.0000 
   C  11    1.4171     5.1600     4.2917     2.8625     0.0000 



ATOMIC CHARGES
   B   1    0.0000000000
   C   2    0.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   O   5    0.0000000000
   O   6    0.0000000000
   O   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000


BOND ANGLES
   2    1    5  Car   B2   O3    120.135
   2    1    6  Car   B2   O3    117.701
   5    1    6   O3   B2   O3    122.164
   1    2    3   B2  Car  Car    120.135
   1    2    8   B2  Car  Car    119.812
   3    2    8  Car  Car  Car    120.053
   2    3    4  Car  Car  Car    120.053
   3    4    7  Car  Car   O3    120.053
   3    4   10  Car  Car  Car    119.728
   7    4   10   O3  Car  Car    120.219
   4    7   11  Car   O3   C3    120.184
   2    8    9  Car  Car  Car    119.728
   8    9   10  Car  Car  Car    120.219
   4   10    9  Car  Car  Car    120.219


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