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4,5-Dimethyl-1,3-dioxol-2-one
4,5-Dimethyl-1,3-dioxol-2-one ID: API-9391
CAS:37830-90-3
Supplier:APIchem

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SMILES:o1c(c(oc1=O)C)C	ChemMol.com
FORMULA: C5H6O3
MASS: 114.0993
EXACT MASS: 114.0316941
INTERATOMIC DISTANCES

              O   1      O   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.6180     0.0000 
   O   3    1.7820     1.7821     0.0000 
   C   4    1.0000     1.6180     2.5876     0.0000 
   C   5    1.6180     1.0000     2.5876     0.9999     0.0000 
   C   6    1.7820     2.5876     3.5202     1.0001     1.7821     0.0000 
   C   7    2.5876     1.7820     3.5202     1.7819     1.0000     2.1756 
   C   8    1.0000     0.9999     1.0001     1.6180     1.6180     2.5876 
   H   9    1.5990     2.7749     3.3804     1.1766     2.1361     0.6200 
   H  10    2.3513     3.1982     4.1143     1.6200     2.3513     0.6200 
   H  11    2.1361     2.5416     3.7583     1.1766     1.5989     0.6200 
   H  12    2.5416     2.1361     3.7583     1.5989     1.1765     1.7132 
   H  13    3.1981     2.3513     4.1143     2.3513     1.6200     2.5891 
   H  14    2.7749     1.5990     3.3805     2.1362     1.1767     2.7019 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5876     0.0000 
   H   9    2.7018     2.5417     0.0000 
   H  10    2.5890     3.1981     0.8767     0.0000 
   H  11    1.7131     2.7748     1.2400     0.8769     0.0000 
   H  12    0.6199     2.7748     2.2944     2.0431     1.1724     0.0000 
   H  13    0.6200     3.1981     3.1624     2.9044     2.0430     0.8768 
   H  14    0.6201     2.5417     3.1788     3.1625     2.2944     1.2400 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.3959540352
   O   2   -0.3959540352
   O   3   -0.2020835870
   C   4    0.1468710500
   C   5    0.1468710500
   C   6   -0.0028238578
   C   7   -0.0028238578
   C   8    0.5206100920
   H   9    0.0308811968
   H  10    0.0308811968
   H  11    0.0308811968
   H  12    0.0308811968
   H  13    0.0308811968
   H  14    0.0308811968


BOND ANGLES
   4    1    8  Car   O2  Car    107.997
   5    2    8  Car   O2  Car    108.000
   1    4    5   O2  Car  Car    108.001
   1    4    6   O2  Car   C3    125.995
   5    4    6  Car  Car   C3    126.004
   2    5    4   O2  Car  Car    108.000
   2    5    7   O2  Car   C3    126.001
   4    5    7  Car  Car   C3    125.999
   4    6    9  Car   C3   HC     90.001
   4    6   10  Car   C3   HC    179.974
   4    6   11  Car   C3   HC     89.987
   9    6   10   HC   C3   HC     90.000
   9    6   11   HC   C3   HC    179.974
  10    6   11   HC   C3   HC     90.012
   5    7   12  Car   C3   HC     89.998
   5    7   13  Car   C3   HC    179.974
   5    7   14  Car   C3   HC     90.004
  12    7   13   HC   C3   HC     90.005
  12    7   14   HC   C3   HC    179.974
  13    7   14   HC   C3   HC     89.993
   1    8    2   O2  Car   O2    108.001
   1    8    3   O2  Car   O2    125.995
   2    8    3   O2  Car   O2    126.004


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