Free Chemical Databases
-
[Synonyms]
NSC644879
AIDS138313
AIDS-138313
NCI60_015230
(Acetyloxy)(2-((acetyloxy)methyl)-3-pyridinyl)methyl acetate
[Structure]
[ Properties Computed from Structure]
Molecular Weight 281.2613 [g/mol] Molecular Formula C13H15NO6 XLogP 1 H-Bond Donor 0 H-Bond Acceptor 7 Rotatable Bond Count 8 Exact Mass 281.089937 MonoIsotopic Mass 281.089937 Topological Polar Surface Area 91.8 Heavy Atom Count 20 Formal Charge 0 Complexity 354 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: [acetyloxy-[2-(acetyloxymethyl)pyridin-3-yl]methyl] acetate
Canonical SMILES: CC(=O)OCC1=C(C=CC=N1)C(OC(=O)C)OC(=O)C
InChI: InChI=1/C13H15NO6/c1-8(15)18-7-12-11(5-4-6-14-12)13(19-9(2)16)20-10(3)
17/h4-6,13H,7H2,1-3H3
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