Compound 10
  CheckMol                        TMF02:r0:m0
MF=C8H17NaO2 MW=168.21
 11  9  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.4198   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6915    0.1301   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1770    0.1420   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250   -1.1595   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158   -1.1477   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560   -2.4492   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6494    0.1656   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1415   -2.4373   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1402    0.1775   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8737    1.4908   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  CHG  1   1   1
M  CHG  1   4  -1
M  END

2D Structure

Sodium 2-ethylhexanoate

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Chemical Name - Sodium 2-ethylhexanoate
Mol Weight - 143.205
Smiles - CCCCC(CC)C([O-])=O.[Na+]

Property Name	Property Value
Mol Name	Sodium 2-ethylhexanoate
Molweight	143.205
Monoisotopic Mass	143.107205
Clogp	0.1152
Clogs	-1.969
H Acceptors	2
Total Surface Area	130.84
Relative Psa	0.2088
Polar Surface Area	40.13
Druglikeness	-4.2921
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Shape Index	0.7
Molecular Flexibility	0.75438
Molecular Complexity	0.57565
Fragments	2
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	1
Rotatable Bonds	5
Sp3 Atoms	8
Acidic Oxygens	1
Smiles	CCCCC(CC)C([O-])=O.[Na+]
InChIKey	InChI=1S/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChI	VYPDUQYOLCLEGS-UHFFFAOYSA-M

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1 — Sodium 2-ethylhexanoate | 2 — Sodium 2-ethylhexanoate