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6-methoxy-1H-indole-2-carboxylic acid methyl ester
6-methoxy-1H-indole-2-carboxylic acid methyl ester ID: CHH14019
CAS:98081-83-5
Supplier:ChemiK Co.,Ltd.

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SMILES:[nH]1c(cc2ccc(cc12)OC)C(=O)OC	
FORMULA: C11H11NO3
MASS: 205.2099
EXACT MASS: 205.0738932
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8938     0.0000 
   C   3    1.4461     0.8937     0.0000 
   C   4    1.4461     1.4461     0.8937     0.0000 
   C   5    2.2916     2.3277     1.6329     0.8938     0.0000 
   C   6    2.6682     2.9572     2.4139     1.5480     0.8938     0.0000 
   C   7    2.4139     2.9573     2.6682     1.7875     1.5480     0.8937 
   C   8    1.6329     2.3277     2.2916     1.5480     1.7875     1.5480 
   C   9    0.8937     1.4461     1.4461     0.8937     1.5480     1.7875 
   C  10    1.5927     0.8938     1.5927     2.3127     3.1716     3.8432 
   O  11    2.3923     1.5481     1.8667     2.7356     3.4921     4.2765 
   O  12    1.8667     1.5481     2.3923     2.9778     3.8680     4.4353 
   O  13    3.1766     3.8038     3.5603     2.6812     2.3646     1.5480 
   C  14    3.9558     4.4937     4.1159     3.2225     2.6813     1.7875 
   C  15    1.6415     1.7876     2.6780     3.0213     3.9016     4.3070 

              C   7      C   8      C   9      C  10      O  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8938     0.0000 
   C   9    1.5480     0.8938     0.0000 
   C  10    3.8432     3.1716     2.3127     0.0000 
   O  11    4.4353     3.8680     2.9778     0.8938     0.0000 
   O  12    4.2765     3.4921     2.7356     0.8938     1.5481     0.0000 
   O  13    0.8938     1.5480     2.3646     4.6773     5.3069     5.0394 
   C  14    1.5481     2.3647     3.0961     5.3838     5.9389     5.8213 
   C  15    3.9728     3.1126     2.5222     1.5481     2.3647     0.8938 

              O  13      C  14      C  15
              ---------------------------------
   O  13    0.0000 
   C  14    0.8938     0.0000 
   C  15    4.6375     5.4770     0.0000 



ATOMIC CHARGES
   N   1   -0.2387175578
   C   2    0.1566567340
   C   3    0.0271954437
   C   4    0.0195624600
   C   5    0.0046602503
   C   6    0.0370006780
   C   7    0.1402380556
   C   8    0.0559738121
   C   9    0.0845630585
   C  10    0.3592481505
   O  11   -0.2431849867
   O  12   -0.4402886256
   O  13   -0.4713762977
   C  14    0.2524675259
   C  15    0.2560012994


BOND ANGLES
   2    1    9  Car  Nar  Car    107.996
   1    2    3  Nar  Car  Car    108.003
   1    2   10  Nar  Car   C2    125.997
   3    2   10  Car  Car   C2    126.001
   2    3    4  Car  Car  Car    107.999
   3    4    5  Car  Car  Car    131.997
   3    4    9  Car  Car  Car    108.001
   5    4    9  Car  Car  Car    120.002
   4    5    6  Car  Car  Car    119.997
   5    6    7  Car  Car  Car    120.002
   6    7    8  Car  Car  Car    120.002
   6    7   13  Car  Car   O3    120.002
   8    7   13  Car  Car   O3    119.997
   7    8    9  Car  Car  Car    119.997
   1    9    8  Nar  Car  Car    131.997
   4    9    8  Car  Car  Car    120.002
   1    9    4  Nar  Car  Car    108.001
  11   10   12   O2   C2   O3    120.000
   2   10   11  Car   C2   O2    120.002
   2   10   12  Car   C2   O3    119.999
  10   12   15   C2   O3   C3    120.000
   7   13   14  Car   O3   C3    120.000


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