Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 226.22586 [g/mol] Molecular Formula C11H14O5 XLogP -0.8 H-Bond Donor 1 H-Bond Acceptor 5 Rotatable Bond Count 4 Tautomer Count 3 Exact Mass 226.084124 MonoIsotopic Mass 226.084124 Topological Polar Surface Area 76.1 Heavy Atom Count 16 Formal Charge 0 Complexity 335 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4-(hydroxymethyl)-3-[3-(3-methyloxiran-2-yl)prop-2-enoyl]oxolan-2-one
Canonical SMILES: CC1C(O1)C=CC(=O)C2C(COC2=O)CO
InChI: InChI=1/C11H14O5/c1-6-9(16-6)3-2-8(13)10-7(4-12)5-15-11(10)14/h2-3,6-7,
9-10,12H,4-5H2,1H3
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