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Cyclopropylbenzene
Cyclopropylbenzene ID: API-42689
CAS:873-49-4
Supplier:APIchem

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SMILES:C1(CC1)c1ccccc1	ChemMol.com
FORMULA: C9H10
MASS: 118.1757
EXACT MASS: 118.0782503
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    1.0000     1.0000     0.0000 
   C   4    1.0000     1.9318     1.9318     0.0000 
   C   5    1.7320     2.7320     2.3941     1.0000     0.0000 
   C   6    1.7320     2.3941     2.7320     1.0000     1.7320     0.0000 
   C   7    2.6457     3.6326     3.3858     1.7320     1.0000     2.0000 
   C   8    2.6457     3.3858     3.6326     1.7320     2.0000     1.0000 
   C   9    3.0000     3.8982     3.8982     2.0000     1.7320     1.7320 
   H  10    0.6200     1.0313     1.5038     1.0312     1.9850     1.3659 
   H  11    1.2648     0.6200     1.5967     1.9768     2.9046     2.1649 
   H  12    1.5968     0.6200     1.2648     2.5501     3.3214     2.9878 
   H  13    1.5967     1.2648     0.6200     2.5500     2.9878     3.3214 
   H  14    1.2648     1.5967     0.6200     1.9768     2.1649     2.9046 
   H  15    1.8396     2.8015     2.2455     1.4157     0.6200     2.2900 
   H  16    1.8397     2.2456     2.8015     1.4158     2.2901     0.6201 
   H  17    3.1407     4.1393     3.7853     2.2900     1.4158     2.6199 
   H  18    3.1408     3.7853     4.1394     2.2901     2.6200     1.4158 
   H  19    3.6200     4.5138     4.5138     2.6200     2.2901     2.2901 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     1.0000     0.0000 
   H  10    2.7603     2.3547     2.9020     0.0000 
   H  11    3.7074     3.1614     3.8110     0.9473     0.0000 
   H  12    4.2409     3.9850     4.5177     1.6371     0.9498     0.0000 
   H  13    3.9850     4.2409     4.5176     2.0337     1.8797     1.2153 
   H  14    3.1614     3.7074     3.8110     1.8684     2.1652     1.8798 
   H  15    1.4158     2.6199     2.2900     2.2510     3.0948     3.3397 
   H  16    2.6200     1.4158     2.2901     1.3063     1.8716     2.7827 
   H  17    0.6200     2.2900     1.4157     3.3207     4.2635     4.7347 
   H  18    2.2901     0.6201     1.4158     2.7688     3.4788     4.3598 
   H  19    1.4158     1.4158     0.6200     3.5110     4.4090     5.1327 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.9499     0.0000 
   H  15    2.7827     1.8716     0.0000 
   H  16    3.3397     3.0949     2.8059     0.0000 
   H  17    4.3598     3.4788     1.6200     3.2400     0.0000 
   H  18    4.7347     4.2635     3.2400     1.6200     2.8059     0.0000 
   H  19    5.1327     4.4090     2.8059     2.8059     1.6199     1.6200 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
   C   1   -0.0158132347
   C   2   -0.0456599206
   C   3   -0.0456599206
   C   4   -0.0442713467
   C   5   -0.0583068264
   C   6   -0.0583068264
   C   7   -0.0614925877
   C   8   -0.0614925877
   C   9   -0.0617414849
   H  10    0.0348791707
   H  11    0.0271247143
   H  12    0.0271247143
   H  13    0.0271247143
   H  14    0.0271247143
   H  15    0.0620376202
   H  16    0.0620376202
   H  17    0.0617665557
   H  18    0.0617665557
   H  19    0.0617583564


BOND ANGLES
   2    1    3   C3   C3   C3     60.001
   2    1    4   C3   C3  Car    149.999
   2    1   10   C3   C3   HC     75.002
   3    1    4   C3   C3  Car    149.999
   3    1   10   C3   C3   HC    135.003
   4    1   10  Car   C3   HC     74.998
   1    2    3   C3   C3   C3     59.999
   1    2   11   C3   C3   HC    100.005
   1    2   12   C3   C3   HC    160.002
   3    2   11   C3   C3   HC    160.004
   3    2   12   C3   C3   HC    100.003
  11    2   12   HC   C3   HC     99.993
   1    3    2   C3   C3   C3     59.999
   1    3   13   C3   C3   HC    159.993
   1    3   14   C3   C3   HC    100.005
   2    3   13   C3   C3   HC     99.994
   2    3   14   C3   C3   HC    160.004
  13    3   14   HC   C3   HC    100.002
   1    4    5   C3  Car  Car    120.001
   1    4    6   C3  Car  Car    120.001
   5    4    6  Car  Car  Car    119.999
   4    5    7  Car  Car  Car    120.001
   4    5   15  Car  Car   HC    119.998
   7    5   15  Car  Car   HC    120.002
   4    6    8  Car  Car  Car    120.001
   4    6   16  Car  Car   HC    120.002
   8    6   16  Car  Car   HC    119.997
   5    7    9  Car  Car  Car    120.001
   5    7   17  Car  Car   HC    120.002
   9    7   17  Car  Car   HC    119.998
   6    8    9  Car  Car  Car    120.001
   6    8   18  Car  Car   HC    119.997
   9    8   18  Car  Car   HC    120.002
   7    9    8  Car  Car  Car    119.999
   7    9   19  Car  Car   HC    120.001
   8    9   19  Car  Car   HC    120.001


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