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6-Hydroxy-1-naphthoic acid
6-Hydroxy-1-naphthoic acid ID: API-45744
CAS:2437-17-4
Supplier:APIchem

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SMILES:c1(cccc2cc(ccc12)O)C(=O)O	ChemMol.com
FORMULA: C11H8O3
MASS: 188.1794
EXACT MASS: 188.0473441
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    4.0295     4.5690     4.0295     2.6379     1.5230     0.0000 
   C   7    4.5689     5.4912     5.2758     4.0294     2.6379     1.5230 
   C   8    4.0294     5.2758     5.4912     4.5689     3.0460     2.6379 
   C   9    2.6379     4.0295     4.5690     4.0295     2.6379     3.0460 
   C  10    1.5230     2.6379     3.0460     2.6379     1.5230     2.6379 
   C  11    1.5230     2.6379     4.0295     4.5690     4.0295     5.2758 
   O  12    2.6379     4.0295     5.2758     5.4912     4.5690     5.4913 
   O  13    2.6379     3.0460     4.5690     5.4913     5.2758     6.6386 
   O  14    6.0920     6.9793     6.6386     5.2758     4.0295     2.6379 

              C   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.5230     0.0000 
   C   9    2.6379     1.5230     0.0000 
   C  10    3.0460     2.6379     1.5230     0.0000 
   C  11    5.4912     4.5689     3.0460     2.6379     0.0000 
   O  12    5.2758     4.0295     2.6379     3.0460     1.5230     0.0000 
   O  13    6.9792     6.0920     4.5690     4.0295     1.5230     2.6379 
   O  14    1.5230     2.6379     4.0295     4.5690     6.9792     6.6386 

              O  13      O  14
              ----------------------
   O  13    0.0000 
   O  14    8.4797     0.0000 



ATOMIC CHARGES
   C   1    0.0797725619
   C   2    0.0065764073
   C   3    0.0002120233
   C   4    0.0001069206
   C   5    0.0033866285
   C   6    0.0420294125
   C   7    0.1957452514
   C   8    0.0420306916
   C   9    0.0034896125
   C  10    0.0065729406
   C  11    0.3877521606
   O  12   -0.2405521950
   O  13   -0.2405521950
   O  14   -0.2865702207


BOND ANGLES
   2    1   10  Car  Car  Car    120.000
   2    1   11  Car  Car  Cac    119.999
  10    1   11  Car  Car  Cac    120.001
   1    2    3  Car  Car  Car    119.999
   2    3    4  Car  Car  Car    119.999
   3    4    5  Car  Car  Car    120.000
   4    5    6  Car  Car  Car    120.000
   4    5   10  Car  Car  Car    120.001
   6    5   10  Car  Car  Car    119.999
   5    6    7  Car  Car  Car    120.000
   6    7    8  Car  Car  Car    120.001
   6    7   14  Car  Car   O3    120.000
   8    7   14  Car  Car   O3    119.999
   7    8    9  Car  Car  Car    120.001
   8    9   10  Car  Car  Car    120.000
   1   10    9  Car  Car  Car    120.000
   5   10    9  Car  Car  Car    119.999
   1   10    5  Car  Car  Car    120.001
   1   11   12  Car  Cac O.co2    120.001
   1   11   13  Car  Cac O.co2    119.999
  12   11   13 O.co2  Cac O.co2    120.000


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