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Products Information

indan-4-ol
indan-4-ol ID: AN-3084
CAS:1641-41-4
Supplier:AN PharmaTech Co Ltd

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SMILES:Oc1c2CCCc2ccc1	74233
FORMULA: C9H10O
MASS: 134.1751
EXACT MASS: 134.0731649
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    3.1210     0.0000 
   C   3    2.1710     0.9940     0.0000 
   C   4    3.3393     0.9940     1.6094     0.0000 
   C   5    1.7320     1.6095     0.9941     1.6117     0.0000 
   C   6    2.6457     1.6095     1.6117     0.9941     1.0000     0.0000 
   C   7    1.0000     2.5962     1.8228     2.5576     1.0000     1.7320 
   C   8    3.0000     2.5962     2.5576     1.8228     1.7320     1.0000 
   C   9    1.7320     3.3000     2.6956     2.9792     1.7320     2.0000 
   C  10    2.6457     3.3000     2.9792     2.6956     2.0000     1.7320 
   H  11    3.7405     0.6199     1.6055     1.1148     2.1908     1.9925 
   H  12    3.2671     0.6199     1.1148     1.6055     1.9925     2.1908 
   H  13    2.5111     1.1150     0.6200     1.9925     1.6056     2.1923 
   H  14    1.6829     1.6056     0.6200     2.1907     1.1149     1.9965 
   H  15    3.7155     1.6056     2.1907     0.6200     1.9965     1.1149 
   H  16    3.9010     1.1150     1.9925     0.6200     2.1923     1.6056 
   H  17    3.6200     2.8922     3.0271     1.9872     2.2901     1.4158 
   H  18    1.8396     3.8842     3.2152     3.5979     2.2900     2.6199 
   H  19    3.1407     3.8842     3.5979     3.2152     2.6199     2.2900 
   H  20    0.6200     3.7333     2.7901     3.9013     2.2900     3.1407 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.7320     0.0000 
   C  10    1.7320     1.0000     1.0000     0.0000 
   H  11    3.1878     2.9160     3.8334     3.7237     0.0000 
   H  12    2.9160     3.1878     3.7237     3.8334     0.8294     0.0000 
   H  13    2.3524     3.1606     3.2737     3.5979     1.6106     0.8638 
   H  14    1.6048     2.8393     2.5790     3.0650     2.2066     1.6106 
   H  15    2.8393     1.6048     3.0650     2.5790     1.6106     2.2066 
   H  16    3.1606     2.3524     3.5979     3.2737     0.8638     1.6106 
   H  17    2.6200     0.6200     2.2901     1.4158     3.1006     3.5072 
   H  18    1.4157     2.2900     0.6200     1.4158     4.4322     4.2779 
   H  19    2.2900     1.4157     1.4158     0.6200     4.2779     4.4322 
   H  20    1.4158     3.3533     1.8397     2.8292     4.3521     3.8870 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8294     0.0000 
   H  15    2.6076     2.7432     0.0000 
   H  16    2.2280     2.6076     0.8294     0.0000 
   H  17    3.6049     3.3745     1.5808     2.4035     0.0000 
   H  18    3.7648     3.0168     3.6804     4.2170     2.8059     0.0000 
   H  19    4.2170     3.6804     3.0168     3.7648     1.6199     1.6200 
   H  20    3.1245     2.2984     4.2375     4.4784     3.9665     1.7320 

              H  19      H  20
              ----------------------
   H  19    0.0000 
   H  20    3.2380     0.0000 



ATOMIC CHARGES
   O   1   -0.5064875765
   C   2   -0.0449331039
   C   3   -0.0236764422
   C   4   -0.0270106189
   C   5   -0.0027713308
   C   6   -0.0407193511
   C   7    0.1202723202
   C   8   -0.0580905523
   C   9   -0.0198901936
   C  10   -0.0580371438
   H  11    0.0271528912
   H  12    0.0271528912
   H  13    0.0314493897
   H  14    0.0314493897
   H  15    0.0313363984
   H  16    0.0313363984
   H  17    0.0620399206
   H  18    0.0654028196
   H  19    0.0618792400
   H  20    0.2921446539


BOND ANGLES
   7    1   20  Car   O3   HO    120.002
   3    2    4   C3   C3   C3    108.098
   3    2   11   C3   C3   HC    167.937
   3    2   12   C3   C3   HC     83.965
   4    2   11   C3   C3   HC     83.965
   4    2   12   C3   C3   HC    167.937
  11    2   12   HC   C3   HC     83.972
   2    3    5   C3   C3  Car    108.103
   2    3   13   C3   C3   HC     83.976
   2    3   14   C3   C3   HC    167.939
   5    3   13  Car   C3   HC    167.921
   5    3   14  Car   C3   HC     83.958
  13    3   14   HC   C3   HC     83.963
   2    4    6   C3   C3  Car    108.103
   2    4   15   C3   C3   HC    167.939
   2    4   16   C3   C3   HC     83.976
   6    4   15  Car   C3   HC     83.958
   6    4   16  Car   C3   HC    167.921
  15    4   16   HC   C3   HC     83.963
   3    5    6   C3  Car  Car    107.848
   3    5    7   C3  Car  Car    132.151
   6    5    7  Car  Car  Car    120.001
   4    6    5   C3  Car  Car    107.848
   4    6    8   C3  Car  Car    132.151
   5    6    8  Car  Car  Car    120.001
   1    7    5   O3  Car  Car    120.001
   1    7    9   O3  Car  Car    120.001
   5    7    9  Car  Car  Car    119.999
   6    8   10  Car  Car  Car    119.999
   6    8   17  Car  Car   HC    120.001
  10    8   17  Car  Car   HC    120.001
   7    9   10  Car  Car  Car    120.001
   7    9   18  Car  Car   HC    119.998
  10    9   18  Car  Car   HC    120.002
   8   10    9  Car  Car  Car    120.001
   8   10   19  Car  Car   HC    119.998
   9   10   19  Car  Car   HC    120.002


TORSION ANGLES
  20    1    7    5    179.974
  20    1    7    9      0.026
   4    2    3    5      0.026
   4    2    3   13    179.974
   4    2    3   14    179.974
  11    2    3    5    179.974
  11    2    3   13      0.026
  11    2    3   14      0.026
  12    2    3    5    179.974
  12    2    3   13      0.026
  12    2    3   14      0.026
   3    2    4    6      0.026
   3    2    4   15    179.974
   3    2    4   16    179.974
  11    2    4    6    179.974
  11    2    4   15      0.026
  11    2    4   16      0.026
  12    2    4    6    179.974
  12    2    4   15      0.026
  12    2    4   16      0.026
   2    3    5    6      0.026
   2    3    5    7    179.974
  13    3    5    6    179.974
  13    3    5    7      0.026
  14    3    5    6    179.974
  14    3    5    7      0.026
   2    4    6    5      0.026
   2    4    6    8    179.974
  15    4    6    5    179.974
  15    4    6    8      0.026
  16    4    6    5    179.974
  16    4    6    8      0.026
   3    5    6    4      0.026
   3    5    6    8    179.974
   7    5    6    4    179.974
   7    5    6    8      0.026
   3    5    7    1      0.026
   3    5    7    9    179.974
   6    5    7    1    179.974
   6    5    7    9      0.026
   4    6    8   10    179.974
   4    6    8   17      0.026
   5    6    8   10      0.026
   5    6    8   17    179.974
   1    7    9   10    179.974
   1    7    9   18      0.026
   5    7    9   10      0.026
   5    7    9   18    179.974
   6    8   10    9      0.026
   6    8   10   19    179.974
  17    8   10    9    179.974
  17    8   10   19      0.026
   7    9   10    8      0.026
   7    9   10   19    179.974
  18    9   10    8    179.974
  18    9   10   19      0.026