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3-methyl-3-oxetanemethanol
3-methyl-3-oxetanemethanol ID: B184418
CAS:3143-02-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C1(COC1)(CO)C	
FORMULA: C5H10O2
MASS: 102.1317
EXACT MASS: 102.0680796
INTERATOMIC DISTANCES

              C   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    1.0500     0.0000 
   C   3    0.7484     0.7484     0.0000 
   C   4    0.7425     0.7425     1.0583     0.0000 
   C   5    0.7366     1.6576     1.4849     1.0500     0.0000 
   C   6    0.7484     1.6628     1.0500     1.4908     1.0500     0.0000 
   O   7    1.1639     1.6650     1.8175     0.9228     0.7396     1.7287 

              O   7
              -----------
   O   7    0.0000 



ATOMIC CHARGES
   C   1    0.0852400776
   O   2   -0.3534361623
   C   3    0.1469857065
   C   4    0.1469857065
   C   5    0.1868110729
   C   6    0.0076655730
   O   7   -0.2202519741


BOND ANGLES
   3    1    4   C3   C3   C3     90.449
   3    1    5   C3   C3   C3    179.094
   3    1    6   C3   C3   C3     89.101
   4    1    5   C3   C3   C3     90.457
   4    1    6   C3   C3   C3    179.551
   5    1    6   C3   C3   C3     89.993
   3    2    4   C3   O3   C3     90.449
   1    3    2   C3   C3   O3     89.101
   1    4    2   C3   C3   O3     90.000
   1    5    7   C3   C3   O3    104.078


TORSION ANGLES
   3    2    4    1      0.026
   2    3    1    4      0.026
   2    3    1    5    179.974
   2    3    1    6    179.974
   2    4    1    3      0.026
   2    4    1    5    179.974
   2    4    1    6      0.026
   7    5    1    3    179.974
   7    5    1    4      0.026
   7    5    1    6    179.974
   1    3    2    4      0.026