Free Chemical Databases
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[Synonyms]
EINECS 260-924-7
4,7,10,13-Tetraoxahexadecanedinitrile
Propanenitrile, 3,3'-(1,2-ethanediylbis(oxy-2,1-ethanediyloxy))bis-
57741-46-5
[Structure]
[ Properties Computed from Structure]
Molecular Weight 256.2982 [g/mol] Molecular Formula C12H20N2O4 XLogP -1.2 H-Bond Donor 0 H-Bond Acceptor 6 Rotatable Bond Count 13 Exact Mass 256.142307 MonoIsotopic Mass 256.142307 Topological Polar Surface Area 84.5 Heavy Atom Count 18 Formal Charge 0 Complexity 238 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 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]propanenitrile
Canonical SMILES: C(COCCOCCOCCOCCC#N)C#N
InChI: InChI=1/C12H20N2O4/c13-3-1-5-15-7-9-17-11-12-18-10-8-16-6-2-4-14/h1-2,
5-12H2
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