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Furo[2,3-c]pyridin-3(2H)-one
Furo[2,3-c]pyridin-3(2H)-one ID: API-28661
CAS:106531-52-6
Supplier:APIchem

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SMILES:O1c2c(C(=O)C1)ccnc2	ChemMol.com
FORMULA: C7H5NO2
MASS: 135.1201
EXACT MASS: 135.0320284
INTERATOMIC DISTANCES

              O   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.5788     0.0000 
   N   3    2.6956     3.7443     0.0000 
   C   4    1.6118     1.7763     2.0000     0.0000 
   C   5    0.9942     2.5818     1.7320     1.0000     0.0000 
   C   6    0.9941     1.7763     3.3000     1.6095     1.6095     0.0000 
   C   7    1.6095     1.0000     2.9792     0.9941     1.6117     0.9940 
   C   8    2.5577     2.2532     1.7320     1.0000     1.7320     2.5962 
   C   9    1.8228     3.4782     1.0000     1.7320     1.0000     2.5962 
   C  10    2.9792     3.2418     1.0000     1.7320     2.0000     3.3000 
   H  11    1.1148     2.2907     3.7237     2.1908     1.9925     0.6200 
   H  12    1.6056     1.5282     3.8334     1.9925     2.1908     0.6199 
   H  13    3.0272     2.1272     2.2901     1.4158     2.2901     2.8922 
   H  14    1.9872     3.9873     1.4158     2.2901     1.4158     2.8922 
   H  15    3.5979     3.6503     1.4158     2.2900     2.6199     3.8842 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.8228     0.0000 
   C   9    2.5576     2.0000     0.0000 
   C  10    2.6956     1.0000     1.7320     0.0000 
   H  11    1.6056     3.1879     2.9160     3.8335     0.0000 
   H  12    1.1148     2.9160     3.1878     3.7237     0.8295     0.0000 
   H  13    1.9872     0.6200     2.6200     1.4158     3.5073     3.1006 
   H  14    3.0271     2.6200     0.6200     2.2901     3.1005     3.5072 
   H  15    3.2152     1.4157     2.2900     0.6200     4.4322     4.2779 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    3.2400     0.0000 
   H  15    1.6199     2.8059     0.0000 



ATOMIC CHARGES
   O   1   -0.4819091595
   O   2   -0.2882800166
   N   3   -0.2595929745
   C   4    0.0654128080
   C   5    0.1496962239
   C   6    0.1520657555
   C   7    0.2038065966
   C   8   -0.0294616164
   C   9    0.0698917384
   C  10    0.0284660815
   H  11    0.0780853829
   H  12    0.0780853829
   H  13    0.0640773309
   H  14    0.0867004189
   H  15    0.0829560473


BOND ANGLES
   5    1    6  Car   O3   C3    108.094
   9    3   10  Car  Nar  Car    120.001
   5    4    7  Car  Car   C2    107.848
   5    4    8  Car  Car  Car    120.001
   7    4    8   C2  Car  Car    132.151
   1    5    4   O3  Car  Car    107.854
   1    5    9   O3  Car  Car    132.146
   4    5    9  Car  Car  Car    120.001
   1    6    7   O3   C3   C2    108.101
   1    6   11   O3   C3   HC     83.955
   1    6   12   O3   C3   HC    167.934
   7    6   11   C2   C3   HC    167.944
   7    6   12   C2   C3   HC     83.965
  11    6   12   HC   C3   HC     83.979
   2    7    4   O2   C2  Car    125.944
   2    7    6   O2   C2   C3    125.953
   4    7    6  Car   C2   C3    108.103
   4    8   10  Car  Car  Car    119.999
   4    8   13  Car  Car   HC    120.001
  10    8   13  Car  Car   HC    120.001
   3    9    5  Nar  Car  Car    119.999
   3    9   14  Nar  Car   HC    120.001
   5    9   14  Car  Car   HC    120.001
   3   10    8  Nar  Car  Car    120.001
   3   10   15  Nar  Car   HC    120.002
   8   10   15  Car  Car   HC    119.998


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