Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 184.20855 [g/mol] Molecular Formula C8H17NaO3 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 8 Exact Mass 184.107539 MonoIsotopic Mass 184.107539 Topological Polar Surface Area 41.5 Heavy Atom Count 12 Formal Charge 0 Complexity 66.4 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 2
[ Descriptors Computed from Structure]
IUPAC Name: sodium 2-(2-butoxyethoxy)ethanolate
Canonical SMILES: CCCCOCCOCC[O-].[Na+]
InChI: InChI=1/C8H17O3.Na/c1-2-3-5-10-7-8-11-6-4-9;/h2-8H2,1H3;/q-1;+1
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