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Benzyl acrylate
Benzyl acrylate ID: API-45847
CAS:2495-35-4
Supplier:APIchem

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SMILES:O(Cc1ccccc1)C(=O)C=C	ChemMol.com
FORMULA: C10H10O2
MASS: 162.1852
EXACT MASS: 162.0680796
INTERATOMIC DISTANCES

              O   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   C   3    1.7320     3.0000     0.0000 
   C   4    1.0000     2.0000     1.0000     0.0000 
   C   5    2.0000     3.6055     1.0000     1.7320     0.0000 
   C   6    2.6457     3.6055     1.0000     1.7320     1.7320     0.0000 
   C   7    3.0000     4.5826     1.7320     2.6457     1.0000     2.0000 
   C   8    3.4641     4.5826     1.7320     2.6457     2.0000     1.0000 
   C   9    3.6055     5.0000     2.0000     3.0000     1.7320     1.7320 
   C  10    1.0000     1.0000     2.6457     1.7320     3.0000     3.4641 
   C  11    1.7321     1.7321     3.4641     2.6458     3.6056     4.3589 
   C  12    2.6458     2.0000     4.3589     3.4641     4.5826     5.1962 
   H  13    1.0812     1.4332     1.5967     0.6200     2.3451     2.1829 
   H  14    1.5968     2.1944     1.0812     0.6200     2.0295     1.4155 
   H  15    1.7733     3.4849     1.4158     1.8397     0.6201     2.2901 
   H  16    2.8291     3.4849     1.4157     1.8396     2.2900     0.6200 
   H  17    3.3533     5.0104     2.2901     3.1408     1.4158     2.6200 
   H  18    4.0130     5.0104     2.2900     3.1407     2.6199     1.4158 
   H  19    4.2100     5.6200     2.6200     3.6200     2.2901     2.2901 
   H  20    1.8397     2.2901     3.5192     2.8292     3.4849     4.4726 
   H  21    3.1408     2.6200     4.8708     4.0130     5.0104     5.7415 
   H  22    2.8292     1.7732     4.4726     3.5191     4.8212     5.2330 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     1.0000     0.0000 
   C  10    4.0000     4.3589     4.5826     0.0000 
   C  11    4.5826     5.1962     5.2915     1.0001     0.0000 
   C  12    5.5678     6.0828     6.2450     1.7321     1.0000     0.0000 
   H  13    3.2657     3.1512     3.5889     1.4155     2.4059     3.1022 
   H  14    2.8113     2.4059     2.9561     2.1829     3.1513     3.8918 
   H  15    1.4158     2.6200     2.2901     2.7431     3.2069     4.2029 
   H  16    2.6199     1.4158     2.2900     3.5191     4.4726     5.2330 
   H  17    0.6201     2.2901     1.4158     4.3433     4.8212     5.8193 
   H  18    2.2900     0.6200     1.4157     4.8707     5.7415     6.6018 
   H  19    1.4158     1.4158     0.6200     5.1927     5.8809     6.8428 
   H  20    4.4187     5.2330     5.2100     1.4158     0.6200     1.4158 
   H  21    5.9770     6.6018     6.7056     2.2901     1.4158     0.6200 
   H  22    5.8193     6.1648     6.4222     1.8397     1.4158     0.6201 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    2.3980     2.2860     0.0000 
   H  16    2.1355     1.3413     2.8059     0.0000 
   H  17    3.7574     3.3700     1.6200     3.2400     0.0000 
   H  18    3.5955     2.8161     3.2400     1.6200     2.8059     0.0000 
   H  19    4.2079     3.5650     2.8059     2.8059     1.6200     1.6199 
   H  20    2.7169     3.3947     3.0074     4.6666     4.5826     5.8080 
   H  21    3.6870     4.4691     4.5826     5.8080     6.1810     7.1370 
   H  22    3.0690     3.8654     4.5048     5.1961     6.1235     6.6486 

              H  19      H  20      H  21      H  22
              --------------------------------------------
   H  19    0.0000 
   H  20    5.7745     0.0000 
   H  21    7.2920     1.6200     0.0000 
   H  22    7.0323     1.9436     1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.4568112118
   O   2   -0.2456340796
   C   3   -0.0102959453
   C   4    0.1178307523
   C   5   -0.0553578113
   C   6   -0.0553578113
   C   7   -0.0613951775
   C   8   -0.0613951775
   C   9   -0.0617390150
   C  10    0.3316839358
   C  11    0.0154297943
   C  12   -0.0919409538
   H  13    0.0748715921
   H  14    0.0748715921
   H  15    0.0621359027
   H  16    0.0621359027
   H  17    0.0617677771
   H  18    0.0617677771
   H  19    0.0617583660
   H  20    0.0682830536
   H  21    0.0536953687
   H  22    0.0536953687


BOND ANGLES
   4    1   10   C3   O3   C2    120.001
   4    3    5   C3  Car  Car    120.001
   4    3    6   C3  Car  Car    120.001
   5    3    6  Car  Car  Car    119.999
   1    4    3   O3   C3  Car    120.001
   1    4   13   O3   C3   HC     79.995
   1    4   14   O3   C3   HC    160.002
   3    4   13  Car   C3   HC    160.004
   3    4   14  Car   C3   HC     79.997
  13    4   14   HC   C3   HC     80.007
   3    5    7  Car  Car  Car    120.001
   3    5   15  Car  Car   HC    120.002
   7    5   15  Car  Car   HC    119.997
   3    6    8  Car  Car  Car    120.001
   3    6   16  Car  Car   HC    119.998
   8    6   16  Car  Car   HC    120.002
   5    7    9  Car  Car  Car    120.001
   5    7   17  Car  Car   HC    119.997
   9    7   17  Car  Car   HC    120.002
   6    8    9  Car  Car  Car    120.001
   6    8   18  Car  Car   HC    120.002
   9    8   18  Car  Car   HC    119.998
   7    9    8  Car  Car  Car    119.999
   7    9   19  Car  Car   HC    120.001
   8    9   19  Car  Car   HC    120.001
   1   10    2   O3   C2   O2    120.001
   1   10   11   O3   C2   C2    119.998
   2   10   11   O2   C2   C2    120.001
  10   11   12   C2   C2   C2    119.998
  10   11   20   C2   C2   HC    120.000
  12   11   20   C2   C2   HC    120.002
  11   12   21   C2   C2   HC    120.002
  11   12   22   C2   C2   HC    119.997
  21   12   22   HC   C2   HC    120.001


TORSION ANGLES
  10    1    4    3    179.974
  10    1    4   13      0.026
  10    1    4   14      0.026
   4    1   10    2      0.026
   4    1   10   11    179.974
   5    3    4    1      0.026
   5    3    4   13    179.974
   5    3    4   14    179.974
   6    3    4    1    179.974
   6    3    4   13      0.026
   6    3    4   14      0.026
   4    3    5    7    179.974
   4    3    5   15      0.026
   6    3    5    7      0.026
   6    3    5   15    179.974
   4    3    6    8    179.974
   4    3    6   16      0.026
   5    3    6    8      0.026
   5    3    6   16    179.974
   3    5    7    9      0.026
   3    5    7   17    179.974
  15    5    7    9    179.974
  15    5    7   17      0.026
   3    6    8    9      0.026
   3    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
   1   10   11   12    179.974
   1   10   11   20      0.026
   2   10   11   12      0.026
   2   10   11   20    179.974
  10   11   12   21    179.974
  10   11   12   22      0.026
  20   11   12   21      0.026
  20   11   12   22    179.974