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1-(9H-fluoren-2-yl)ethanone
1-(9H-fluoren-2-yl)ethanone ID: AN-11556
CAS:781-73-7
Supplier:AN PharmaTech Co Ltd

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SMILES:O=C(c1cc2Cc3c(c2cc1)cccc3)C	69908
FORMULA: C15H12O
MASS: 208.2552
EXACT MASS: 208.0888150
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    3.8102     0.0000 
   C   3    3.0659     0.9999     0.0000 
   C   4    3.6671     1.6180     1.0000     0.0000 
   C   5    4.6615     1.0000     1.6181     1.6181     0.0000 
   C   6    4.5900     1.6180     1.6180     1.0000     1.0001     0.0000 
   C   7    2.0245     1.8587     1.0416     1.7760     2.6437     2.6083 
   C   8    3.5321     2.6082     1.7760     1.0416     2.6437     1.8587 
   C   9    5.6483     1.8588     2.6437     2.6084     1.0416     1.7761 
   C  10    5.5258     2.6082     2.6437     1.8588     1.7760     1.0416 
   C  11    1.7320     2.7661     1.8001     2.0693     3.3793     3.0556 
   C  12    2.6864     3.0555     2.0693     1.8000     3.3792     2.7660 
   C  13    6.4434     2.7661     3.3793     3.0557     1.8001     2.0694 
   C  14    6.3897     3.0556     3.3792     2.7661     2.0693     1.8001 
   C  15    0.9999     3.6215     2.7152     3.0693     4.3260     4.0534 
   C  16    1.7320     4.4919     3.5321     3.6784     5.0983     4.6780 
   H  17    3.4212     0.6200     1.1202     2.0014     1.6116     2.1989 
   H  18    4.2458     0.6201     1.6116     2.1990     1.1202     2.0014 
   H  19    1.8116     2.0229     1.4558     2.3299     2.9362     3.0735 
   H  20    4.0839     3.0735     2.3300     1.4558     2.9362     2.0230 
   H  21    5.8225     2.0230     2.9362     3.0736     1.4558     2.3299 
   H  22    5.6315     3.0736     2.9362     2.0230     2.3300     1.4558 
   H  23    2.8754     3.6740     2.6893     2.3593     3.9631     3.2868 
   H  24    7.0198     3.2870     3.9632     3.6742     2.3594     2.6894 
   H  25    6.9408     3.6741     3.9631     3.2869     2.6893     2.3594 
   H  26    2.1114     4.2548     3.2643     3.2610     4.7630     4.2508 
   H  27    2.2900     5.0557     4.0798     4.1333     5.6134     5.1255 
   H  28    1.5200     4.7978     3.8814     4.1468     5.4834     5.1447 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0693     0.0000 
   C   9    3.6489     3.5958     0.0000 
   C  10    3.5958     2.3699     2.0693     0.0000 
   C  11    1.0416     1.8001     4.4192     3.9012     0.0000 
   C  12    1.8001     1.0416     4.3972     3.3968     1.0416     0.0000 
   C  13    4.4192     3.9012     1.0416     1.8001     5.0547     4.8354 
   C  14    4.3972     3.3968     1.8001     1.0416     4.8354     4.4109 
   C  15    1.7702     2.7152     5.3582     4.8974     1.0001     1.7702 
   C  16    2.6864     3.0659     6.1398     5.4033     1.7320     2.0245 
   H  17    1.6289     2.8888     2.3834     3.2112     2.6410     3.1369 
   H  18    2.3834     3.2112     1.6289     2.8888     3.3420     3.6742 
   H  19    0.6200     2.6892     3.8790     4.0933     1.4558     2.3593 
   H  20    2.6893     0.6200     3.7989     2.2495     2.3593     1.4558 
   H  21    3.8790     4.0933     0.6200     2.6892     4.7361     4.8260 
   H  22    3.7989     2.2495     2.6893     0.6200     3.9421     3.2898 
   H  23    2.3594     1.4559     4.9675     3.8120     1.4559     0.6201 
   H  24    4.9986     4.5187     1.4558     2.3594     5.6622     5.4554 
   H  25    4.9675     3.8120     2.3594     1.4559     5.3471     4.8461 
   H  26    2.5539     2.5453     5.8011     4.9091     1.5200     1.5128 
   H  27    3.2791     3.4149     6.6539     5.7822     2.2901     2.3879 
   H  28    2.9462     3.6181     6.5201     5.9214     2.1115     2.5843 

              C  13      C  14      C  15      C  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0416     0.0000 
   C  15    6.0358     5.8354     0.0000 
   C  16    6.7248     6.3988     1.0000     0.0000 
   H  17    3.3420     3.6742     3.3813     4.3151     0.0000 
   H  18    2.6410     3.1369     4.1532     5.0547     0.8297     0.0000 
   H  19    4.7361     4.8260     1.8859     2.8754     1.6100     2.4344 
   H  20    3.9421     3.2898     3.2148     3.4291     3.4198     3.6513 
   H  21    1.4558     2.3593     5.6323     6.4679     2.4344     1.6100 
   H  22    2.3593     1.4558     4.9158     5.3142     3.6513     3.4198 
   H  23    5.3471     4.8461     1.8859     1.8115     3.7531     4.2931 
   H  24    0.6201     1.4559     6.6386     7.3398     3.8344     3.0828 
   H  25    1.4559     0.6201     6.3456     6.8577     4.2931     3.7531 
   H  26    6.3161     5.9232     1.1766     0.6199     4.1607     4.8456 
   H  27    7.1889     6.7988     1.6200     0.6200     4.9072     5.6305 
   H  28    7.1641     6.8975     1.1766     0.6201     4.5494     5.3282 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    3.3092     0.0000 
   H  21    4.0183     4.3450     0.0000 
   H  22    4.3450     1.9731     3.3092     0.0000 
   H  23    2.8787     1.6658     5.4158     3.6205     0.0000 
   H  24    5.2874     4.5445     1.6658     2.8788     5.9661     0.0000 
   H  25    5.4158     3.6205     2.8787     1.6658     5.2371     1.6658 
   H  26    2.8699     2.8576     6.1736     4.7787     1.2105     6.9350 
   H  27    3.4919     3.6942     7.0077     5.6368     2.0288     7.8074 
   H  28    3.0114     4.0151     6.8062     5.8665     2.4222     7.7730 

              H  25      H  26      H  27      H  28
              --------------------------------------------
   H  25    0.0000 
   H  26    6.3564     0.0000 
   H  27    7.2269     0.8768     0.0000 
   H  28    7.3773     1.2400     0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.2923557391
   C   2   -0.0012436855
   C   3   -0.0346735783
   C   4   -0.0140877122
   C   5   -0.0353338224
   C   6   -0.0141251566
   C   7   -0.0472009304
   C   8   -0.0530906187
   C   9   -0.0576822666
   C  10   -0.0537517433
   C  11    0.0174130993
   C  12   -0.0506841382
   C  13   -0.0614560294
   C  14   -0.0611671899
   C  15    0.1601218727
   C  16   -0.0014098791
   H  17    0.0361784808
   H  18    0.0361784808
   H  19    0.0627486352
   H  20    0.0623893963
   H  21    0.0620565438
   H  22    0.0623703541
   H  23    0.0624677795
   H  24    0.0617669981
   H  25    0.0617762850
   H  26    0.0309315214
   H  27    0.0309315214
   H  28    0.0309315214


BOND ANGLES
   3    2    5  Car   C3  Car    108.010
   3    2   17  Car   C3   HC     84.004
   3    2   18  Car   C3   HC    167.996
   5    2   17  Car   C3   HC    167.986
   5    2   18  Car   C3   HC     83.994
  17    2   18   HC   C3   HC     83.992
   2    3    4   C3  Car  Car    107.998
   2    3    7   C3  Car  Car    131.123
   4    3    7  Car  Car  Car    120.879
   3    4    6  Car  Car  Car    107.998
   3    4    8  Car  Car  Car    120.887
   6    4    8  Car  Car  Car    131.115
   2    5    6   C3  Car  Car    107.990
   2    5    9   C3  Car  Car    131.126
   6    5    9  Car  Car  Car    120.885
   4    6    5  Car  Car  Car    108.004
   4    6   10  Car  Car  Car    131.119
   5    6   10  Car  Car  Car    120.877
   3    7   11  Car  Car  Car    119.559
   3    7   19  Car  Car   HC    120.214
  11    7   19  Car  Car   HC    120.227
   4    8   12  Car  Car  Car    119.557
   4    8   20  Car  Car   HC    120.222
  12    8   20  Car  Car   HC    120.221
   5    9   13  Car  Car  Car    119.559
   5    9   21  Car  Car   HC    120.214
  13    9   21  Car  Car   HC    120.227
   6   10   14  Car  Car  Car    119.561
   6   10   22  Car  Car   HC    120.218
  14   10   22  Car  Car   HC    120.221
   7   11   12  Car  Car  Car    119.558
   7   11   15  Car  Car   C2    120.219
  12   11   15  Car  Car   C2    120.223
   8   12   11  Car  Car  Car    119.560
   8   12   23  Car  Car   HC    120.219
  11   12   23  Car  Car   HC    120.221
   9   13   14  Car  Car  Car    119.558
   9   13   24  Car  Car   HC    120.215
  14   13   24  Car  Car   HC    120.227
  10   14   13  Car  Car  Car    119.560
  10   14   25  Car  Car   HC    120.219
  13   14   25  Car  Car   HC    120.221
   1   15   11   O2   C2  Car    119.998
   1   15   16   O2   C2   C3    120.007
  11   15   16  Car   C2   C3    119.994
  15   16   26   C2   C3   HC     90.006
  15   16   27   C2   C3   HC    179.974
  15   16   28   C2   C3   HC     89.993
  26   16   27   HC   C3   HC     90.007
  26   16   28   HC   C3   HC    179.974
  27   16   28   HC   C3   HC     89.994


TORSION ANGLES
   5    2    3    4      0.026
   5    2    3    7    179.974
  17    2    3    4    179.974
  17    2    3    7      0.026
  18    2    3    4    179.974
  18    2    3    7      0.026
   3    2    5    6      0.026
   3    2    5    9    179.974
  17    2    5    6    179.974
  17    2    5    9      0.026
  18    2    5    6    179.974
  18    2    5    9      0.026
   2    3    4    6      0.026
   2    3    4    8    179.974
   7    3    4    6    179.974
   7    3    4    8      0.026
   2    3    7   11    179.974
   2    3    7   19      0.026
   4    3    7   11      0.026
   4    3    7   19    179.974
   3    4    6    5      0.026
   3    4    6   10    179.974
   8    4    6    5    179.974
   8    4    6   10      0.026
   3    4    8   12      0.026
   3    4    8   20    179.974
   6    4    8   12    179.974
   6    4    8   20      0.026
   2    5    6    4      0.026
   2    5    6   10    179.974
   9    5    6    4    179.974
   9    5    6   10      0.026
   2    5    9   13    179.974
   2    5    9   21      0.026
   6    5    9   13      0.026
   6    5    9   21    179.974
   4    6   10   14    179.974
   4    6   10   22      0.026
   5    6   10   14      0.026
   5    6   10   22    179.974
   3    7   11   12      0.026
   3    7   11   15    179.974
  19    7   11   12    179.974
  19    7   11   15      0.026
   4    8   12   11      0.026
   4    8   12   23    179.974
  20    8   12   11    179.974
  20    8   12   23      0.026
   5    9   13   14      0.026
   5    9   13   24    179.974
  21    9   13   14    179.974
  21    9   13   24      0.026
   6   10   14   13      0.026
   6   10   14   25    179.974
  22   10   14   13    179.974
  22   10   14   25      0.026
   7   11   12    8      0.026
   7   11   12   23    179.974
  15   11   12    8    179.974
  15   11   12   23      0.026
   7   11   15    1      0.026
   7   11   15   16    179.974
  12   11   15    1    179.974
  12   11   15   16      0.026
   9   13   14   10      0.026
   9   13   14   25    179.974
  24   13   14   10    179.974
  24   13   14   25      0.026
   1   15   16   26    179.974
   1   15   16   27      0.026
   1   15   16   28      0.026
  11   15   16   26      0.026
  11   15   16   27    179.974
  11   15   16   28    179.974