Sodium 2-ethylhexanoate

CAT: 0127-OR46573-01Size: 500 gDry Ice: NoHazardous: No

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CAT#:0127-OR46573-01Size:500 g

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CAS Number

19766-89-3

MDL Number

MFCD00014007

Purity

98%

Smiles

[Na+].CCCCC(CC)C(=O)[O-]

Chemical Information

Sodium 2-ethylhexanoate

CAS Number	19766-89-3
PubChem CID	23672331
IUPAC Name	sodium 2-ethylhexanoate
Molecular Formula	C8H15NaO2
Molecular Weight	166.19
Topological Polar Surface Area	40.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	104

SMILES

CCCCC(CC)C(=O)[O-].[Na+]

InChI

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

InChIKey

VYPDUQYOLCLEGS-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 19766-89-3

CID: 23672331

Formula: C8H15NaO2

MW: 166.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.19
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	166.09697400
Monoisotopic Mass	166.09697400
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	104
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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