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Ethoxyethyne
Ethoxyethyne ID: API-42836
CAS:927-80-0
Supplier:APIchem

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SMILES:O(CC)C#C	ChemMol.com
FORMULA: C4H6O
MASS: 70.0898
EXACT MASS: 70.0418648
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      C   5      H   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    1.7320     1.0000     0.0000 
   C   4    1.0001     1.7321     2.6458     0.0000 
   C   5    2.0000     2.6458     3.6055     1.0000     0.0000 
   H   6    1.0812     0.6200     1.5968     1.4155     2.1996     0.0000 
   H   7    1.5967     0.6199     1.0812     2.1829     2.9967     0.7971 
   H   8    2.1114     1.1766     0.6200     2.9083     3.8024     1.6344 
   H   9    2.2900     1.6199     0.6200     3.2380     4.2100     2.2128 
   H  10    1.5200     1.1766     0.6200     2.5121     3.5086     1.7880 
   H  11    2.6200     3.2380     4.2100     1.6199     0.6200     2.7568 

              H   7      H   8      H   9      H  10      H  11
              -------------------------------------------------------
   H   7    0.0000 
   H   8    0.8924     0.0000 
   H   9    1.6309     0.8768     0.0000 
   H  10    1.5200     1.2399     0.8768     0.0000 
   H  11    3.5494     4.3798     4.8184     4.1273     0.0000 



ATOMIC CHARGES
   O   1   -0.2979064312
   C   2    0.0617090095
   C   3   -0.0402289145
   C   4    0.0506073976
   C   5   -0.0891528565
   H   6    0.0571009546
   H   7    0.0571009546
   H   8    0.0252149951
   H   9    0.0252149951
   H  10    0.0252149951
   H  11    0.1251249007


BOND ANGLES
   2    1    4   C3   O3   C1    120.001
   1    2    3   O3   C3   C3    119.999
   1    2    6   O3   C3   HC     79.993
   1    2    7   O3   C3   HC    160.002
   3    2    6   C3   C3   HC    160.009
   3    2    7   C3   C3   HC     80.000
   6    2    7   HC   C3   HC     80.009
   2    3    8   C3   C3   HC     90.001
   2    3    9   C3   C3   HC    179.974
   2    3   10   C3   C3   HC     89.999
   8    3    9   HC   C3   HC     90.000
   8    3   10   HC   C3   HC    179.974
   9    3   10   HC   C3   HC     90.000
   1    4    5   O3   C1   C1    179.974
   4    5   11   C1   C1   HC    179.974


TORSION ANGLES
   4    1    2    3    179.974
   4    1    2    6      0.026
   4    1    2    7      0.026
   2    1    4    5      0.026
   1    2    3    8    179.974
   1    2    3    9      0.026
   1    2    3   10      0.026
   6    2    3    8      0.026
   6    2    3    9    179.974
   6    2    3   10    179.974
   7    2    3    8      0.026
   7    2    3    9    179.974
   7    2    3   10    179.974
   1    4    5   11      0.026