CAS 19766-89-3 | Hexanoic acid, 2-ethyl-, sodium salt (1:1) | CAS Number 19766-89-3

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19766-89-3 | Hexanoic acid, 2-ethyl-, sodium salt (1:1)

CAS No: 19766-89-3 Catalog No: AG002AYQ MDL No:MFCD00014007

Product Description

Catalog Number:

AG002AYQ

Chemical Name:

Hexanoic acid, 2-ethyl-, sodium salt (1:1)

CAS Number:

19766-89-3

Molecular Formula:

C8H15NaO2

Molecular Weight:

166.1933

MDL Number:

MFCD00014007

IUPAC Name:

sodium;2-ethylhexanoate

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

InChI Key:

VYPDUQYOLCLEGS-UHFFFAOYSA-M

SMILES:

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

EC Number:

243-283-8

Properties

Complexity:

104

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.097g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.196g/mol

Monoisotopic Mass:

166.097g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Carbonic anhydrase inhibitors. Inhibition of the β-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives.	Bioorganic & medicinal chemistry letters 20110415