SMILES:c1(cccc(c1)C(=O)OC)OC1CC1	

FORMULA: C11H12O3
MASS: 192.2112
EXACT MASS: 192.0786442
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8273     0.0000 
   C   3    1.4309     0.8256     0.0000 
   C   4    1.6520     1.4313     0.8271     0.0000 
   C   5    1.4272     1.6525     1.4340     0.8306     0.0000 
   C   6    0.8229     1.4305     1.6530     1.4327     0.8240     0.0000 
   C   7    2.1808     2.4776     2.1880     1.4340     0.8251     1.4283 
   O   8    2.4717     2.9766     2.8635     2.1892     1.4295     1.6488 
   O   9    2.8567     2.9780     2.4810     1.6540     1.4295     2.1823 
   C  10    3.5945     3.7840     3.3061     2.4790     2.1832     2.8572 
   O  11    0.8251     1.4303     2.1843     2.4770     2.1804     1.4265 
   C  12    1.4289     1.6499     2.4755     2.9761     2.8561     2.1803 
   C  13    2.2507     2.3965     3.2131     3.7724     3.6779     2.9913 
   C  14    1.9722     1.8402     2.6051     3.2700     3.3434     2.7883 

              C   7      O   8      O   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    0.8269     0.0000 
   O   9    0.8250     1.4312     0.0000 
   C  10    1.4289     1.6520     0.8251     0.0000 
   O  11    2.8548     2.9688     3.5939     4.2837     0.0000 
   C  12    3.5936     3.7753     4.2856     5.0162     0.8250     0.0000 
   C  13    4.4109     4.5592     5.1074     5.8354     1.5907     0.8218 
   C  14    4.1367     4.4304     4.7504     5.5263     1.5917     0.8237 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.8250     0.0000 



ATOMIC CHARGES
   C   1    0.1385817534
   C   2    0.0369007761
   C   3    0.0033212627
   C   4    0.0066405022
   C   5    0.0786582884
   C   6    0.0433298054
   C   7    0.3414220071
   O   8   -0.2448911690
   O   9   -0.4413263194
   C  10    0.2559505710
   O  11   -0.4791680425
   C  12    0.1661398903
   C  13    0.0472203371
   C  14    0.0472203371


BOND ANGLES
   6    5    7  Car  Car   C2    120.020
   5    7    8  Car   C2   O2    119.839
   5    7    9  Car   C2   O3    120.074
   9    7    8   O3   C2   O2    120.087
   8    7    9   O2   C2   O3    120.087
   7    9   10   C2   O3   C3    119.993
   2    1   11  Car  Car   O3    119.906
   1   11   12  Car   O3   C3    119.993
   7    5    6   C2  Car  Car    120.020
   5    6    1  Car  Car  Car    120.126
  11    1    2   O3  Car  Car    119.906
   1    2    3  Car  Car  Car    119.926


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


CHIRAL ATOMS
   C    12 is chiral: counterclockwise