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4-(hydroxymethyl)phenol

4-(hydroxymethyl)phenol ID: BBC/380
CAS:623-05-2
Supplier:Aronis

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SMILES:c1(ccc(cc1)CO)O	
FORMULA: C7H8O2
MASS: 124.1372
EXACT MASS: 124.0524295
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    2.6585     0.0000 
   C   3    1.3333     2.3000     0.0000 
   C   4    1.3272     2.3034     2.3034     0.0000 
   C   5    2.3071     1.3293     1.3293     2.6625     0.0000 
   C   6    2.3000     1.3333     2.6585     1.3272     2.3071     0.0000 
   O   7    1.3293     3.9878     2.3071     2.3000     3.5215     3.5138 
   O   8    4.7893     2.3000     4.6000     3.9857     3.5138     2.6585 
   C   9    3.9878     1.3293     3.5138     3.5184     2.3000     2.3071 

              O   7      O   8      C   9
              ---------------------------------
   O   7    0.0000 
   O   8    6.0879     0.0000 
   C   9    5.3171     1.3293     0.0000 



ATOMIC CHARGES
   C   1    0.1957272359
   C   2    0.0107753899
   C   3    0.0417845099
   C   4    0.0417845099
   C   5    0.0015368654
   C   6    0.0015368654
   O   7   -0.2865704780
   O   8   -0.2151720751
   C   9    0.2085971766


BOND ANGLES
   3    1    4  Car  Car  Car    119.946
   3    1    7  Car  Car   O3    120.103
   4    1    7  Car  Car   O3    119.952
   6    2    9  Car  Car   C3    120.103
   5    2    6  Car  Car  Car    120.103
   5    2    9  Car  Car   C3    119.795
   1    3    5  Car  Car  Car    120.103
   1    4    6  Car  Car  Car    120.109
   2    5    3  Car  Car  Car    119.795
   2    6    4  Car  Car  Car    119.946
   2    9    8  Car   C3   O3    119.795


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