Free Chemical Databases
-
[Synonyms]
NSC16323
5449-40-1
[Structure]
[ Properties Computed from Structure]
Molecular Weight 268.30714 [g/mol] Molecular Formula C17H16O3 XLogP 3.4 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 5 Exact Mass 268.109944 MonoIsotopic Mass 268.109944 Topological Polar Surface Area 38.8 Heavy Atom Count 20 Formal Charge 0 Complexity 322 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: ethyl 3,3-di(phenyl)oxirane-2-carboxylate
Canonical SMILES: CCOC(=O)C1C(O1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1/C17H16O3/c1-2-19-16(18)15-17(20-15,
13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
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