Free Chemical Databases
-
[Synonyms]
NSC648082
AIDS139281
AIDS-139281
2(5H)-Furanone, 5,5'-methylenebis[5-methoxy-
[Structure]
[ Properties Computed from Structure]
Molecular Weight 240.20938 [g/mol] Molecular Formula C11H12O6 XLogP 0.2 H-Bond Donor 0 H-Bond Acceptor 6 Rotatable Bond Count 4 Exact Mass 240.063388 MonoIsotopic Mass 240.063388 Topological Polar Surface Area 71.1 Heavy Atom Count 17 Formal Charge 0 Complexity 374 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: 5-methoxy-5-[(2-methoxy-5-oxofuran-2-yl)methyl]furan-2-one
Canonical SMILES: COC1(C=CC(=O)O1)CC2(C=CC(=O)O2)OC
InChI: InChI=1/C11H12O6/c1-14-10(5-3-8(12)16-10)7-11(15-2)6-4-9(13)17-11/h3-6H,
7H2,1-2H3
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