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1,4-Cyclohexanediol
1,4-Cyclohexanediol ID: B184478
CAS:556-48-9
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C1(CCC(CC1)O)O	
FORMULA: C6H12O2
MASS: 116.1583
EXACT MASS: 116.0837296
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5000     0.0000 
   C   3    1.2879     0.7475     0.0000 
   C   4    0.7504     1.2993     1.4895     0.0000 
   C   5    1.2921     0.7546     1.2917     0.7417     0.0000 
   C   6    0.7432     1.2951     0.7417     1.2917     1.4895     0.0000 
   O   7    2.2500     0.7500     1.3024     1.9845     1.3065     1.9818 
   O   8    0.7500     2.2500     1.9739     1.2993     1.9766     1.2951 

              O   7      O   8
              ----------------------
   O   7    0.0000 
   O   8    3.0000     0.0000 



ATOMIC CHARGES
   C   1    0.1521798064
   C   2    0.1521798064
   C   3    0.0354841180
   C   4    0.0354841180
   C   5    0.0354841180
   C   6    0.0354841180
   O   7   -0.2231480424
   O   8   -0.2231480424


BOND ANGLES
   4    1    6   C3   C3   C3    119.717
   4    1    8   C3   C3   O3    119.982
   6    1    8   C3   C3   O3    120.301
   3    2    7   C3   C3   O3    120.851
   3    2    5   C3   C3   C3    118.622
   5    2    7   C3   C3   O3    120.528
   2    3    6   C3   C3   C3    120.851
   1    4    5   C3   C3   C3    119.982
   2    5    4   C3   C3   C3    120.528
   1    6    3   C3   C3   C3    120.301


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


CHIRAL ATOMS
   4    5    2    7    179.974
   4    5    2    7    179.974