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6-hydroxynaphthalene-2-carbaldehyde
6-hydroxynaphthalene-2-carbaldehyde ID: AN-36677
CAS:78119-82-1
Supplier:AN PharmaTech Co Ltd

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SMILES:Oc1cc2c(cc(cc2)C=O)cc1	2764110
FORMULA: C11H8O2
MASS: 172.1800
EXACT MASS: 172.0524295
INTERATOMIC DISTANCES

              O   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    6.3149     0.0000 
   C   3    3.0693     3.4641     0.0000 
   C   4    2.7152     3.6055     1.0000     0.0000 
   C   5    4.0692     2.6458     1.0000     1.7320     0.0000 
   C   6    3.5302     3.0000     1.7320     1.0000     2.0000     0.0000 
   C   7    1.7702     4.6203     1.7760     1.0416     2.6901     1.7602 
   C   8    2.7152     4.3907     1.0416     1.7761     1.7602     2.6902 
   C   9    4.6529     1.7320     1.7321     2.0000     1.0001     1.7321 
   C  10    4.4273     2.0000     2.0000     1.7321     1.7321     1.0001 
   C  11    1.0000     5.3622     2.0693     1.8001     3.0693     2.7087 
   C  12    1.7701     5.2641     1.8001     2.0693     2.7087     3.0693 
   C  13    5.6381     1.0000     2.6458     3.0000     1.7321     2.6458 
   H  14    4.4105     2.8292     1.4158     2.2901     0.6200     2.6200 
   H  15    3.5800     3.3533     2.2901     1.4158     2.6200     0.6200 
   H  16    1.8858     4.8552     2.3300     1.4559     3.1811     1.8710 
   H  17    3.2148     4.5015     1.4559     2.3301     1.8711     3.1812 
   H  18    4.9377     1.7732     2.6200     2.2901     2.2901     1.4158 
   H  19    1.8858     5.8093     2.3593     2.6893     3.2061     3.6892 
   H  20    5.8891     1.4158     2.8292     3.3533     1.8397     3.1408 
   H  21    0.6200     6.7763     3.4254     3.2095     4.4154     4.0781 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0693     0.0000 
   C   9    3.0415     2.6799     0.0000 
   C  10    2.6799     3.0416     1.0000     0.0000 
   C  11    1.0416     1.8002     3.6767     3.5322     0.0000 
   C  12    1.8001     1.0417     3.5322     3.6767     1.0416     0.0000 
   C  13    4.0415     3.4922     1.0000     1.7320     4.6536     4.4241 
   H  14    3.1850     1.8547     1.4158     2.2901     3.4191     2.8837 
   H  15    1.8547     3.1851     2.2901     1.4158     2.8837     3.4191 
   H  16    0.6200     2.6893     3.3913     2.8621     1.4558     2.3593 
   H  17    2.6893     0.6200     2.8622     3.3914     2.3594     1.4559 
   H  18    3.1709     3.6615     1.4158     0.6200     4.0793     4.2811 
   H  19    2.3593     1.4559     4.0814     4.2806     1.4558     0.6200 
   H  20    4.3865     3.5407     1.4158     2.2901     4.8915     4.5334 
   H  21    2.3302     2.8972     5.0820     4.9390     1.4157     1.8698 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    1.8397     0.0000 
   H  15    3.1408     3.2400     0.0000 
   H  16    4.3808     3.7142     1.7531     0.0000 
   H  17    3.5459     1.7531     3.7143     3.3093     0.0000 
   H  18    1.8397     2.8059     1.6200     3.2669     4.0042     0.0000 
   H  19    4.9366     3.2970     4.0333     2.8787     1.6657     4.8890 
   H  20    0.6200     1.7321     3.6739     4.7820     3.4851     2.4522 
   H  21    6.0489     4.6913     4.1674     2.4983     3.3139     5.4720 

              H  19      H  20      H  21
              ---------------------------------
   H  19    0.0000 
   H  20    4.9962     0.0000 
   H  21    1.7750     6.2531     0.0000 



ATOMIC CHARGES
   O   1   -0.5067497291
   O   2   -0.2956997215
   C   3   -0.0170055189
   C   4   -0.0143984877
   C   5   -0.0438112204
   C   6   -0.0532642890
   C   7   -0.0124670623
   C   8   -0.0505642811
   C   9    0.0147712450
   C  10   -0.0509457808
   C  11    0.1174570183
   C  12   -0.0195862113
   C  13    0.1502168849
   H  14    0.0630455624
   H  15    0.0623820474
   H  16    0.0660037128
   H  17    0.0624747568
   H  18    0.0624589249
   H  19    0.0654120615
   H  20    0.1081381278
   H  21    0.2921319604


BOND ANGLES
  11    1   21  Car   O3   HO    120.003
   4    3    5  Car  Car  Car    120.001
   4    3    8  Car  Car  Car    120.886
   5    3    8  Car  Car  Car    119.113
   3    4    6  Car  Car  Car    120.001
   3    4    7  Car  Car  Car    120.882
   6    4    7  Car  Car  Car    119.118
   3    5    9  Car  Car  Car    120.001
   3    5   14  Car  Car   HC    120.001
   9    5   14  Car  Car   HC    119.998
   4    6   10  Car  Car  Car    120.001
   4    6   15  Car  Car   HC    120.001
  10    6   15  Car  Car   HC    119.998
   4    7   11  Car  Car  Car    119.563
   4    7   16  Car  Car   HC    120.226
  11    7   16  Car  Car   HC    120.211
   3    8   12  Car  Car  Car    119.554
   3    8   17  Car  Car   HC    120.230
  12    8   17  Car  Car   HC    120.216
   5    9   10  Car  Car  Car    119.998
   5    9   13  Car  Car   C2    120.001
  10    9   13  Car  Car   C2    120.001
   6   10    9  Car  Car  Car    119.998
   6   10   18  Car  Car   HC    120.000
   9   10   18  Car  Car   HC    120.002
   1   11    7   O3  Car  Car    120.226
   1   11   12   O3  Car  Car    120.219
   7   11   12  Car  Car  Car    119.555
   8   12   11  Car  Car  Car    119.560
   8   12   19  Car  Car   HC    120.215
  11   12   19  Car  Car   HC    120.225
   2   13    9   O2   C2  Car    119.999
   2   13   20   O2   C2   HC    120.001
   9   13   20  Car   C2   HC    120.001


TORSION ANGLES
  21    1   11    7    179.974
  21    1   11   12      0.026
   5    3    4    6      0.026
   5    3    4    7    179.974
   8    3    4    6    179.974
   8    3    4    7      0.026
   4    3    5    9      0.026
   4    3    5   14    179.974
   8    3    5    9    179.974
   8    3    5   14      0.026
   4    3    8   12      0.026
   4    3    8   17    179.974
   5    3    8   12    179.974
   5    3    8   17      0.026
   3    4    6   10      0.026
   3    4    6   15    179.974
   7    4    6   10    179.974
   7    4    6   15      0.026
   3    4    7   11      0.026
   3    4    7   16    179.974
   6    4    7   11    179.974
   6    4    7   16      0.026
   3    5    9   10      0.026
   3    5    9   13    179.974
  14    5    9   10    179.974
  14    5    9   13      0.026
   4    6   10    9      0.026
   4    6   10   18    179.974
  15    6   10    9    179.974
  15    6   10   18      0.026
   4    7   11    1    179.974
   4    7   11   12      0.026
  16    7   11    1      0.026
  16    7   11   12    179.974
   3    8   12   11      0.026
   3    8   12   19    179.974
  17    8   12   11    179.974
  17    8   12   19      0.026
   5    9   10    6      0.026
   5    9   10   18    179.974
  13    9   10    6    179.974
  13    9   10   18      0.026
   5    9   13    2    179.974
   5    9   13   20      0.026
  10    9   13    2      0.026
  10    9   13   20    179.974
   1   11   12    8    179.974
   1   11   12   19      0.026
   7   11   12    8      0.026
   7   11   12   19    179.974