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Ethyl-tetrahydro-2-furoate
Ethyl-tetrahydro-2-furoate ID: B184477
CAS:16874-34-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(=O)(C1OCCC1)OCC	
FORMULA: C7H12O3
MASS: 144.1684
EXACT MASS: 144.0786442
INTERATOMIC DISTANCES

              C   1      C   2      O   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6905     0.0000 
   O   3    0.6958     1.1985     0.0000 
   O   4    1.1917     0.6875     1.3758     0.0000 
   O   5    0.6905     1.2000     1.1985     1.8256     0.0000 
   C   6    1.8256     1.1917     2.0746     0.6988     2.3917     0.0000 
   C   7    1.1944     0.6958     1.8315     1.2057     1.3800     1.3830 
   C   8    1.2000     1.8321     1.3871     2.3917     0.6905     3.0121 
   C   9    2.0704     1.3800     2.4929     1.2057     2.4909     0.6875 
   C  10    1.8337     2.4000     2.0818     3.0131     1.2000     3.5917 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    2.0704     0.0000 
   C   9    1.2000     3.1665     0.0000 
   C  10    2.4886     0.6946     3.6569     0.0000 



ATOMIC CHARGES
   C   1    0.3443801700
   C   2    0.2133635275
   O   3   -0.2474015229
   O   4   -0.3451716570
   O   5   -0.4468480621
   C   6    0.1428922969
   C   7    0.0437060706
   C   8    0.2086353904
   C   9    0.0351724303
   C  10    0.0512713561


BOND ANGLES
   2    1    3   C3   C2   O2    119.662
   2    1    5   C3   C2   O3    120.677
   3    1    5   O2   C2   O3    119.662
   1    2    4   C2   C3   O3    119.733
   1    2    7   C2   C3   C3    118.978
   4    2    7   O3   C3   C3    121.288
   2    4    6   C3   O3   C3    118.551
   1    5    8   C2   O3   C3    120.677
   4    6    9   O3   C3   C3    120.844
   2    7    9   C3   C3   C3     89.317
   5    8   10   O3   C3   C3    120.082
   6    9    7   C3   C3   C3     90.000


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


CHIRAL ATOMS
   7    9    6    4      0.026