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2-(6-methoxy-2-naphthyl)propanoic acid

2-(6-methoxy-2-naphthyl)propanoic acid ID: BBC/462
CAS:22204-53-1
Supplier:Aronis

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SMILES:c1(cc2c(cc(cc2)OC)cc1)[C@@H](C(=O)O)C	
FORMULA: C14H14O3
MASS: 230.2592
EXACT MASS: 230.0942943
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    2.3000     0.0000 
   C   3    1.3302     3.5173     0.0000 
   C   4    1.3272     1.3210     2.3083     0.0000 
   C   5    2.2959     4.5959     1.3227     3.5129     0.0000 
   C   6    2.6612     4.7924     2.3008     3.9884     1.3250     0.0000 
   C   7    1.3459     2.6712     2.3112     2.3143     2.6507     2.2958 
   O   8    2.6616     1.3375     3.9918     2.3004     4.7852     4.6041 
   C   9    3.9998     6.1015     3.5220     5.3270     2.3076     1.3386 
   C  10    2.3123     3.9947     2.6625     3.5220     2.2962     1.3272 
   C  11    3.5133     5.7885     2.2959     4.6042     1.3345     2.3004 
   C  12    4.7992     7.0382     3.9884     6.0974     2.6658     2.3084 
   O  13    3.5170     1.3313     4.6084     2.3001     5.7888     6.0936 
   C  14    4.6042     6.9043     3.5114     5.7946     2.3084     2.6616 
   O  15    6.0974     8.3059     5.3156     7.4058     3.9930     3.5229 
   C  16    2.2993     2.2968     2.6627     1.3333     3.9854     4.7941 
   C  17    7.0316     9.3010     6.0828     8.2988     4.7934     4.6042 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.3084     0.0000 
   C   9    3.5187     5.8039     0.0000 
   C  10    1.3235     3.5211     2.3084     0.0000 
   C  11    3.9852     6.0888     2.6583     3.5144     0.0000 
   C  12    4.6042     6.9126     1.3272     3.5197     2.3034     0.0000 
   O  13    4.0025     2.3101     7.4134     5.3260     6.9043     8.3079 
   C  14    4.7911     7.0344     2.3034     3.9888     1.3272     1.3333 
   O  15    5.7932     8.0921     2.3000     4.6084     3.5152     1.3272 
   C  16    3.5314     3.5198     6.1010     4.6115     4.7913     6.6512 
   C  17    6.9000     9.2083     3.5089     5.7913     3.9821     2.2958 

              O  13      C  14      O  15      C  16      C  17
              -------------------------------------------------------
   O  13    0.0000 
   C  14    8.0849     0.0000 
   O  15    9.5920     2.3034     0.0000 
   C  16    2.6554     6.0895     7.9783     0.0000 
   C  17   10.5486     2.6549     1.3235     8.7116     0.0000 



ATOMIC CHARGES
   C   1   -0.0118119054
   C   2    0.3683382282
   C   3   -0.0037387372
   C   4    0.1256290204
   C   5   -0.0001023924
   C   6    0.0029946023
   C   7   -0.0037401185
   O   8   -0.2453037861
   C   9    0.0368986962
   C  10   -0.0002102878
   C  11    0.0031024942
   C  12    0.1387338816
   O  13   -0.2453037861
   C  14    0.0369000785
   O  15   -0.4714269525
   C  16    0.0165743938
   C  17    0.2524665708


BOND ANGLES
   3    1    4  Car  Car   C3    120.601
   3    1    7  Car  Car  Car    119.454
   4    1    7   C3  Car  Car    119.946
   4    2    8   C3  Cac O.co2    119.831
   4    2   13   C3  Cac O.co2    120.269
   8    2   13 O.co2  Cac O.co2    119.900
   1    3    5  Car  Car  Car    119.861
   1    4    2  Car   C3  Cac    120.578
   2    4   16  Cac   C3   C3    119.833
   1    4   16  Car   C3   C3    119.589
   3    5   11  Car  Car  Car    119.549
   3    5    6  Car  Car  Car    120.685
   6    5   11  Car  Car  Car    119.766
   9    6   10  Car  Car  Car    119.980
   5    6   10  Car  Car  Car    119.946
   5    6    9  Car  Car  Car    120.074
   1    7   10  Car  Car  Car    120.036
   6    9   12  Car  Car  Car    119.980
   6   10    7  Car  Car  Car    120.018
   5   11   14  Car  Car  Car    120.289
   9   12   15  Car  Car   O3    120.109
   9   12   14  Car  Car  Car    119.946
  14   12   15  Car  Car   O3    119.946
  11   14   12  Car  Car  Car    119.946
  12   15   17  Car   O3   C3    120.018


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


CHIRAL ATOMS
  11   14   12   15    179.974