Sign In Join Free

Products Information

2-Quinolinecarboxylic acid
2-Quinolinecarboxylic acid ID: B187343
CAS:93-10-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:n1c(C(=O)O)ccc2c1cccc2	
FORMULA: C10H7NO2
MASS: 173.1681
EXACT MASS: 173.0476785
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8192     0.0000 
   C   3    1.4250     0.8233     0.0000 
   C   4    0.8254     1.4251     2.1793     0.0000 
   O   5    1.6508     1.4280     0.8250     2.4762     0.0000 
   C   6    1.4321     0.8333     1.4311     1.6517     2.1873     0.0000 
   C   7    1.4316     1.6529     2.4762     0.8250     2.9790     1.4333 
   C   8    1.6542     1.4347     2.1842     1.4321     2.8626     0.8254 
   O   9    2.1828     1.4333     0.8284     2.8583     1.4285     1.6529 
   C  10    1.4250     2.1746     2.8500     0.8233     2.9705     2.4750 
   C  11    2.1833     2.4762     3.2995     1.4280     3.7829     2.1859 
   C  12    2.1777     2.8500     3.5878     1.4250     3.7754     2.9738 
   C  13    2.4720     2.9705     3.7754     1.6466     4.1227     2.8583 

              C   7      C   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8305     0.0000 
   O   9    2.9797     2.4783     0.0000 
   C  10    1.4280     2.1856     3.5927     0.0000 
   C  11    0.8233     1.4333     3.7847     1.6500     0.0000 
   C  12    1.6466     2.4771     4.2833     0.8233     1.4280     0.0000 
   C  13    1.4250     2.1851     4.3652     1.4280     0.8233     0.8250 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   N   1   -0.2386936755
   C   2    0.1607298178
   C   3    0.4050794591
   C   4    0.0814945101
   O   5   -0.2388499140
   C   6    0.0258889122
   C   7    0.0177042886
   C   8    0.0032574630
   O   9   -0.2388499140
   C  10    0.0190995967
   C  11    0.0014970042
   C  12    0.0015446185
   C  13    0.0000978333


BOND ANGLES
   2    1    4  Car  Nar  Car    120.113
   1    2    3  Nar  Car  Cac    120.365
   1    2    6  Nar  Car  Car    120.137
   3    2    6  Cac  Car  Car    119.498
   2    3    5  Car  Cac O.co2    120.069
   2    3    9  Car  Cac O.co2    120.402
   5    3    9 O.co2  Cac O.co2    119.530
   1    4    7  Nar  Car  Car    120.321
   1    4   10  Nar  Car  Car    119.611
   7    4   10  Car  Car  Car    120.069
   2    6    8  Car  Car  Car    119.750
   4    7    8  Car  Car  Car    119.782
   4    7   11  Car  Car  Car    120.069
   8    7   11  Car  Car  Car    120.150
   6    8    7  Car  Car  Car    119.897
   4   10   12  Car  Car  Car    119.863
   7   11   13  Car  Car  Car    119.863
  10   12   13  Car  Car  Car    120.069
  11   13   12  Car  Car  Car    120.069


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