Free Chemical Databases
-
[Synonyms]
NSC8252
5689-73-6
[Structure]
[ Properties Computed from Structure]
Molecular Weight 236.3068 [g/mol] Molecular Formula C14H20O3 XLogP 3.2 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 2 Exact Mass 236.141245 MonoIsotopic Mass 236.141245 Topological Polar Surface Area 27.7 Heavy Atom Count 17 Formal Charge 0 Complexity 244 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-dioxane
Canonical SMILES: CC1CC(OC(O1)C2=CC=C(C=C2)OC)(C)C
InChI: InChI=1/C14H20O3/c1-10-9-14(2,3)17-13(16-10)11-5-7-12(15-4)8-6-11/h5-8,
10,13H,9H2,1-4H3
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