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5-Hydroxy-2-Methyl indole
5-Hydroxy-2-Methyl indole ID: B184467
CAS:13314-85-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:[nH]1c(cc2c1ccc(c2)O)C	
FORMULA: C9H9NO
MASS: 147.1739
EXACT MASS: 147.0684139
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2130     0.0000 
   C   3    0.7018     1.3985     0.0000 
   C   4    1.2156     1.2125     0.7000     0.0000 
   C   5    0.6967     0.7000     1.2083     1.3980     0.0000 
   C   6    1.8498     0.6983     2.0968     1.8509     1.2114     0.0000 
   C   7    1.2042     1.2114     1.8452     2.0962     0.6983     1.4000 
   C   8    2.1010     1.2125     2.5235     2.4250     1.4042     0.6977 
   C   9    1.8468     1.4001     2.4208     2.5228     1.2125     1.2135 
   O  10    2.7992     1.8517     3.2062     3.0508     2.1025     1.2125 
   C  11    1.2125     2.0968     0.6983     1.2093     1.8468     2.7950 

              C   7      C   8      C   9      O  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.2207     0.0000 
   C   9    0.7018     0.7083     0.0000 
   O  10    1.8584     0.6983     1.2186     0.0000 
   C  11    2.4167     3.2062     3.0457     3.8944     0.0000 



ATOMIC CHARGES
   N   1   -0.2496546419
   C   2    0.0219889202
   C   3    0.0593858109
   C   4    0.0162961096
   C   5    0.0811214980
   C   6    0.0435609810
   C   7    0.0223658448
   C   8    0.1958432723
   C   9    0.0435719727
   O  10   -0.2865689000
   C  11    0.0520891323


BOND ANGLES
   3    1    5  Car  Nar  Car    119.530
   5    2    6  Car  Car  Car    120.083
   4    2    5  Car  Car  Car     89.802
   4    2    6  Car  Car  Car    150.116
   1    3    4  Nar  Car  Car    120.259
   1    3   11  Nar  Car   C3    120.002
   4    3   11  Car  Car   C3    119.739
   2    4    3  Car  Car  Car     89.855
   1    5    2  Nar  Car  Car    120.555
   2    5    7  Car  Car  Car    120.083
   1    5    7  Nar  Car  Car    119.362
   2    6    8  Car  Car  Car    120.593
   5    7    9  Car  Car  Car    120.002
   9    8   10  Car  Car   O3    120.083
   6    8    9  Car  Car  Car    119.324
   6    8   10  Car  Car   O3    120.593
   7    9    8  Car  Car  Car    119.915


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