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9-methylanthracene
9-methylanthracene ID: AN-22150
CAS:779-02-2
Supplier:AN PharmaTech Co Ltd

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SMILES:c1(c2c(cc3c1cccc3)cccc2)C	13068
FORMULA: C15H12
MASS: 192.2558
EXACT MASS: 192.0939004
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.0001     0.0000 
   C   3    1.0000     1.7321     0.0000 
   C   4    1.7321     1.0000     2.0000     0.0000 
   C   5    1.7320     2.0000     1.0000     1.7321     0.0000 
   C   6    2.0000     1.7321     1.7320     1.0001     1.0000     0.0000 
   C   7    1.7603     1.0416     2.6799     1.7761     3.0416     2.6903 
   C   8    1.7602     2.6799     1.0416     3.0416     1.7761     2.6902 
   C   9    1.0000     1.7321     1.7320     2.6458     2.6457     3.0000 
   C  10    2.6902     1.7760     3.0415     1.0416     2.6799     1.7603 
   C  11    2.6901     3.0415     1.7760     2.6799     1.0416     1.7602 
   C  12    2.7088     1.8001     3.5322     2.0693     3.6767     3.0694 
   C  13    2.7087     3.5322     1.8001     3.6767     2.0693     3.0693 
   C  14    3.0694     2.0693     3.6767     1.8001     3.5322     2.7088 
   C  15    3.0693     3.6767     2.0693     3.5322     1.8001     2.7087 
   H  16    2.6200     2.2901     2.2901     1.4158     1.4158     0.6200 
   H  17    1.8711     1.4559     2.8621     2.3300     3.3913     3.1812 
   H  18    1.8711     2.8622     1.4559     3.3914     2.3301     3.1812 
   H  19    1.1766     1.5201     2.1114     2.5121     2.9083     3.0634 
   H  20    1.6200     2.2901     2.2901     3.2380     3.2380     3.6200 
   H  21    1.1766     2.1115     1.5200     2.9083     2.5121     3.0634 
   H  22    3.1811     2.3299     3.3912     1.4558     2.8620     1.8710 
   H  23    3.1811     3.3913     2.3300     2.8621     1.4559     1.8710 
   H  24    3.2062     2.3593     4.0814     2.6893     4.2806     3.6893 
   H  25    3.2061     4.0814     2.3593     4.2806     2.6893     3.6892 
   H  26    3.6893     2.6893     4.2806     2.3593     4.0814     3.2062 
   H  27    3.6892     4.2806     2.6893     4.0814     2.3593     3.2061 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.5199     0.0000 
   C   9    2.0073     2.0072     0.0000 
   C  10    2.0693     4.0831     3.5080     0.0000 
   C  11    4.0831     2.0693     3.5080     3.5199     0.0000 
   C  12    1.0417     4.4557     3.0490     1.8001     4.6913     0.0000 
   C  13    4.4557     1.0417     3.0489     4.6913     1.8001     5.3321 
   C  14    1.8002     4.6914     3.6691     1.0416     4.4557     1.0416 
   C  15    4.6914     1.8002     3.6691     4.4557     1.0416     5.4329 
   H  16    3.1851     3.1851     3.6200     1.8548     1.8547     3.4192 
   H  17    0.6200     3.5670     1.7865     2.6893     4.4240     1.4560 
   H  18    3.5671     0.6200     1.7865     4.4240     2.6893     4.5621 
   H  19    1.4938     2.5682     0.6200     3.2417     3.8565     2.5248 
   H  20    2.3687     2.3686     0.6200     4.0563     4.0563     3.3933 
   H  21    2.5683     1.4937     0.6200     3.8566     3.2416     3.6037 
   H  22    2.6893     4.4240     4.0532     0.6200     3.5670     2.3593 
   H  23    4.4240     2.6893     4.0532     3.5671     0.6200     4.9253 
   H  24    1.4559     4.9658     3.4079     2.3593     5.3015     0.6200 
   H  25    4.9658     1.4559     3.4078     5.3015     2.3593     5.8761 
   H  26    2.3594     5.3015     4.2751     1.4558     4.9658     1.4558 
   H  27    5.3015     2.3594     4.2751     4.9658     1.4558     6.0219 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.4329     0.0000 
   C  15    1.0416     5.3321     0.0000 
   H  16    3.4191     2.8838     2.8837     0.0000 
   H  17    4.5620     2.3594     4.9253     3.7143     0.0000 
   H  18    1.4559     4.9254     2.3594     3.7143     3.5056     0.0000 
   H  19    3.6036     3.2467     4.1415     3.6727     1.1843     2.3978 
   H  20    3.3933     4.1198     4.1197     4.2400     2.0010     2.0010 
   H  21    2.5247     4.1416     3.2466     3.6727     2.3978     1.1843 
   H  22    4.9253     1.4559     4.5619     1.7531     3.3093     4.8209 
   H  23    2.3593     4.5620     1.4558     1.7531     4.8209     3.3093 
   H  24    5.8761     1.4558     6.0219     4.0334     1.6658     5.0223 
   H  25    0.6200     6.0219     1.4558     4.0333     5.0222     1.6657 
   H  26    6.0219     0.6200     5.8761     3.2971     2.8788     5.5440 
   H  27    1.4558     5.8761     0.6200     3.2970     5.5439     2.8788 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    1.2400     0.8768     0.0000 
   H  22    3.8261     4.6200     4.3573     0.0000 
   H  23    4.3573     4.6200     3.8261     3.5056     0.0000 
   H  24    2.8333     3.6668     3.9960     2.8788     5.5440     0.0000 
   H  25    3.9959     3.6667     2.8332     5.5439     2.8787     6.4035 
   H  26    3.8329     4.7089     4.7573     1.6658     5.0223     1.6658 
   H  27    4.7572     4.7089     3.8328     5.0222     1.6657     6.6166 

              H  25      H  26      H  27
              ---------------------------------
   H  25    0.0000 
   H  26    6.6166     0.0000 
   H  27    1.6658     6.4035     0.0000 



ATOMIC CHARGES
   C   1   -0.0350448994
   C   2   -0.0143798863
   C   3   -0.0143798863
   C   4   -0.0170402772
   C   5   -0.0170402772
   C   6   -0.0462878470
   C   7   -0.0537604525
   C   8   -0.0537604525
   C   9   -0.0385561262
   C  10   -0.0540033165
   C  11   -0.0540033165
   C  12   -0.0611580842
   C  13   -0.0611580842
   C  14   -0.0611661180
   C  15   -0.0611661180
   H  16    0.0629665669
   H  17    0.0623702421
   H  18    0.0623702421
   H  19    0.0277895472
   H  20    0.0277895472
   H  21    0.0277895472
   H  22    0.0623620302
   H  23    0.0623620302
   H  24    0.0617763983
   H  25    0.0617763983
   H  26    0.0617762962
   H  27    0.0617762962


BOND ANGLES
   2    1    3  Car  Car  Car    120.001
   2    1    9  Car  Car   C3    119.998
   3    1    9  Car  Car   C3    120.001
   1    2    4  Car  Car  Car    119.998
   1    2    7  Car  Car  Car    119.116
   4    2    7  Car  Car  Car    120.886
   1    3    5  Car  Car  Car    120.001
   1    3    8  Car  Car  Car    119.113
   5    3    8  Car  Car  Car    120.886
   2    4    6  Car  Car  Car    119.998
   2    4   10  Car  Car  Car    120.882
   6    4   10  Car  Car  Car    119.120
   3    5    6  Car  Car  Car    120.001
   3    5   11  Car  Car  Car    120.882
   6    5   11  Car  Car  Car    119.118
   4    6    5  Car  Car  Car    120.001
   4    6   16  Car  Car   HC    119.998
   5    6   16  Car  Car   HC    120.001
   2    7   12  Car  Car  Car    119.554
   2    7   17  Car  Car   HC    120.221
  12    7   17  Car  Car   HC    120.225
   3    8   13  Car  Car  Car    119.554
   3    8   18  Car  Car   HC    120.230
  13    8   18  Car  Car   HC    120.216
   1    9   19  Car   C3   HC     90.000
   1    9   20  Car   C3   HC    179.974
   1    9   21  Car   C3   HC     90.000
  19    9   20   HC   C3   HC     90.000
  19    9   21   HC   C3   HC    179.974
  20    9   21   HC   C3   HC     90.000
   4   10   14  Car  Car  Car    119.563
   4   10   22  Car  Car   HC    120.216
  14   10   22  Car  Car   HC    120.221
   5   11   15  Car  Car  Car    119.563
   5   11   23  Car  Car   HC    120.226
  15   11   23  Car  Car   HC    120.211
   7   12   14  Car  Car  Car    119.560
   7   12   24  Car  Car   HC    120.215
  14   12   24  Car  Car   HC    120.225
   8   13   15  Car  Car  Car    119.560
   8   13   25  Car  Car   HC    120.215
  15   13   25  Car  Car   HC    120.225
  10   14   12  Car  Car  Car    119.555
  10   14   26  Car  Car   HC    120.220
  12   14   26  Car  Car   HC    120.225
  11   15   13  Car  Car  Car    119.555
  11   15   27  Car  Car   HC    120.220
  13   15   27  Car  Car   HC    120.225


TORSION ANGLES
   3    1    2    4      0.026
   3    1    2    7    179.974
   9    1    2    4    179.974
   9    1    2    7      0.026
   2    1    3    5      0.026
   2    1    3    8    179.974
   9    1    3    5    179.974
   9    1    3    8      0.026
   2    1    9   19      0.026
   2    1    9   20    180.000
   2    1    9   21    179.974
   3    1    9   19    179.974
   3    1    9   20    180.000
   3    1    9   21      0.026
   1    2    4    6      0.026
   1    2    4   10    179.974
   7    2    4    6    179.974
   7    2    4   10      0.026
   1    2    7   12    179.974
   1    2    7   17      0.026
   4    2    7   12      0.026
   4    2    7   17    179.974
   1    3    5    6      0.026
   1    3    5   11    179.974
   8    3    5    6    179.974
   8    3    5   11      0.026
   1    3    8   13    179.974
   1    3    8   18      0.026
   5    3    8   13      0.026
   5    3    8   18    179.974
   2    4    6    5      0.026
   2    4    6   16    179.974
  10    4    6    5    179.974
  10    4    6   16      0.026
   2    4   10   14      0.026
   2    4   10   22    179.974
   6    4   10   14    179.974
   6    4   10   22      0.026
   3    5    6    4      0.026
   3    5    6   16    179.974
  11    5    6    4    179.974
  11    5    6   16      0.026
   3    5   11   15      0.026
   3    5   11   23    179.974
   6    5   11   15    179.974
   6    5   11   23      0.026
   2    7   12   14      0.026
   2    7   12   24    179.974
  17    7   12   14    179.974
  17    7   12   24      0.026
   3    8   13   15      0.026
   3    8   13   25    179.974
  18    8   13   15    179.974
  18    8   13   25      0.026
   4   10   14   12      0.026
   4   10   14   26    179.974
  22   10   14   12    179.974
  22   10   14   26      0.026
   5   11   15   13      0.026
   5   11   15   27    179.974
  23   11   15   13    179.974
  23   11   15   27      0.026
   7   12   14   10      0.026
   7   12   14   26    179.974
  24   12   14   10    179.974
  24   12   14   26      0.026
   8   13   15   11      0.026
   8   13   15   27    179.974
  25   13   15   11    179.974
  25   13   15   27      0.026