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sodium 4-hydroxybutanoate

sodium 4-hydroxybutanoate ID: BBC/341
CAS:502-85-2
Supplier:Aronis

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SMILES:C(=O)([O-])CCCO.[Na+]	
FORMULA: C4H7NaO3
MASS: 126.0863
EXACT MASS: 126.0292884
INTERATOMIC DISTANCES

              C   1      O   2      O   3     Na   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    1.3293     0.0000 
   O   3    1.3250     2.2999     0.0000 
  Na   4    3.9986     2.7802     4.4396     0.0000 
   O   5    4.6083     5.7968     4.7950     8.5697     0.0000 
   C   6    1.3293     2.3000     2.2999     5.0798     3.5220     0.0000 
   C   7    3.5138     4.6000     3.9836     7.3796     1.3365     2.3000 
   C   8    2.3000     3.5138     2.6544     6.2732     2.3083     1.3293 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.3293     0.0000 



ATOMIC CHARGES
   C   1    0.0000000000
   O   2   -0.5000000000
   O   3   -0.5000000000
  Na   4    0.0000000000
   O   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000


BOND ANGLES
   2    1    3 O.co2  Cac O.co2    120.103
   2    1    6 O.co2  Cac   C3    119.795
   3    1    6 O.co2  Cac   C3    120.103
   1    6    8  Cac   C3   C3    119.795
   5    7    8   O3   C3   C3    119.973
   6    8    7   C3   C3   C3    119.795


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