SMILES:C(=O)(OC(C)(C)C)Oc1ccccc1	

FORMULA: C11H14O3
MASS: 194.2271
EXACT MASS: 194.0942943
INTERATOMIC DISTANCES

              C   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.7411     0.0000 
   O   3    0.7447     1.2875     0.0000 
   O   4    0.7417     1.2843     1.2864     0.0000 
   C   5    1.2875     0.7406     1.9670     1.4900     0.0000 
   C   6    1.2833     1.9612     0.7396     1.4801     2.5708     0.0000 
   C   7    1.9669     1.2876     2.5750     2.2333     0.7432     3.2358 
   C   8    1.4838     1.2827     2.2284     1.2875     0.7458     2.6733 
   C   9    1.8847     1.4692     2.6136     1.8264     0.7425     3.1379 
   C  10    1.4885     2.2296     1.2931     1.2834     2.6815     0.7500 
   C  11    1.9670     2.5750     1.2875     2.2264     3.2402     0.7463 
   C  12    2.2368     2.9779     1.9736     1.9709     3.4144     1.2956 
   C  13    2.5708     3.2353     1.9628     2.6722     3.8584     1.2875 
   C  14    2.6791     3.4038     2.2296     2.5708     3.9329     1.4900 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.2915     0.0000 
   C   9    0.9075     0.5695     0.0000 
   C  10    3.4079     2.5709     3.1049     0.0000 
   C  11    3.8626     3.4035     3.8476     1.2921     0.0000 
   C  12    4.1465     3.2440     3.7949     0.7483     1.4875     0.0000 
   C  13    4.5174     3.9258     4.4122     1.4859     0.7396     1.2822 
   C  14    4.6415     3.8583     4.3897     1.2875     1.2859     0.7375 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.7417     0.0000 



ATOMIC CHARGES
   C   1    0.5162216965
   O   2   -0.4250582539
   O   3   -0.3935803945
   O   4   -0.2024375522
   C   5    0.1396567780
   C   6    0.1518741691
   C   7    0.0438071579
   C   8    0.0438071579
   C   9    0.0438071579
   C  10    0.0377154293
   C  11    0.0377154293
   C  12    0.0031345731
   C  13    0.0031345731
   C  14    0.0002020784


BOND ANGLES
  12   14   13  Car  Car  Car    120.184
  14   13   11  Car  Car  Car    120.466
  13   14   12  Car  Car  Car    120.184
  14   12   10  Car  Car  Car    120.113


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


CHIRAL ATOMS
   C     5 is chiral: counterclockwise