SMILES:CCOC(=O)/C=C/[C@@H]1COC(C)(C)O1	ChemMol.com

FORMULA: C10H16O4
MASS: 200.2316
EXACT MASS: 200.1048590
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   O   3    1.4289     0.8250     0.0000 
   C   4    2.1827     1.4289     0.8250     0.0000 
   O   5    2.4749     1.6499     1.4289     0.8250     0.0000 
   C   6    2.8579     2.1827     1.4289     0.8250     1.4289     0.0000 
   C   7    3.5961     2.8579     2.1828     1.4289     1.6500     0.8250 
   C   8    4.2868     3.5960     2.8579     2.1827     2.4749     1.4289 
   C   9    4.4493     3.8607     3.0563     2.5478     3.0342     1.7230 
   O  10    5.2742     4.6812     3.8801     3.3457     3.7672     2.5252 
   C  11    5.5994     4.9266     4.1729     3.5174     3.7672     2.7487 
   C  12    6.3063     5.6686     4.8909     4.2810     4.5767     3.4865 
   C  13    6.1537     5.4306     4.7276     4.0019     4.1016     3.3038 
   O  14    5.0517     4.3267     3.6272     2.8981     3.0343     2.2083 

              C   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8250     0.0000 
   C   9    1.4701     0.8250     0.0000 
   O  10    2.1348     1.3350     0.8251     0.0000 
   C  11    2.1348     1.3349     1.3349     0.8250     0.0000 
   C  12    2.9333     2.1154     1.8879     1.1040     0.8250     0.0000 
   C  13    2.5734     1.8879     2.1154     1.6410     0.8250     1.1041 
   O  14    1.4702     0.8251     1.3349     1.3349     0.8250     1.6410 

              C  13      O  14
              ----------------------
   C  13    0.0000 
   O  14    1.1040     0.0000 



ATOMIC CHARGES
   C   1    0.0512819798
   C   2    0.2088936746
   O   3   -0.4454372156
   C   4    0.3411630193
   O   5   -0.2449015889
   C   6    0.0797814831
   C   7    0.0121144973
   C   8    0.1693652402
   C   9    0.1786087243
   O  10   -0.3313443813
   C  11    0.1878206379
   C  12    0.0612380402
   C  13    0.0612380402
   O  14   -0.3298221509


BOND ANGLES
   6    4    5   C2   C2   O2    120.003
   5    4    6   O2   C2   C2    120.003
   4    6    7   C2   C2   C2    119.998
   9    8    7   C3   C3   C2    126.000
  14    8    7   O3   C3   C2    126.004
   7    8    9   C2   C3   C3    126.000
   8    9   10   C3   C3   O3    108.002
  14    8    9   O3   C3   C3    107.996
   8    9   10   C3   C3   O3    108.002
  13   11   12   C3   C3   C3     84.001
  14   11   12   O3   C3   C3    168.004
  12   11   13   C3   C3   C3     84.001
  14   11   13   O3   C3   C3     84.002
  12   11   14   C3   C3   O3    168.004
  13   11   14   C3   C3   O3     84.002
   7    8   14   C2   C3   O3    126.004
   9    8   14   C3   C3   O3    107.996


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


CHIRAL ATOMS
   C     8 is chiral: counterclockwise