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Chem Sodium 2 Ethylhexanoate | Cheminformatics

Sodium 2-ethylhexanoate


  • SKU Code: CH137084
Chemical Name - Sodium 2-ethylhexanoate
Mol Weight - 143.205
Smiles - CCCCC(CC)C([O-])=O.[Na+]
Property Name Property Value
Mol NameSodium 2-ethylhexanoate
Molweight143.205
Monoisotopic Mass143.107205
Clogp0.1152
Clogs-1.969
H Acceptors2
Total Surface Area130.84
Relative Psa0.2088
Polar Surface Area40.13
Druglikeness-4.2921
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantlow
Shape Index0.7
Molecular Flexibility0.75438
Molecular Complexity0.57565
Fragments2
Non H Atoms10
Non Ch Atoms2
Electronegative Atoms2
Stereo Centers1
Rotatable Bonds5
Sp3 Atoms8
Acidic Oxygens1
SmilesCCCCC(CC)C([O-])=O.[Na+]
InChIKeyInChI=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
InChIVYPDUQYOLCLEGS-UHFFFAOYSA-M

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1 - Sodium 2-ethylhexanoate
2 - Sodium 2-ethylhexanoate
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