Free Chemical Databases
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[Synonyms]
NSC40496
2-Oxo-3-(p-tolyl)-1,3-oxazolidine
3-(4-Methylphenyl)-1,3-oxazolidin-2-one
5198-46-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 177.19984 [g/mol] Molecular Formula C10H11NO2 XLogP 1.8 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 1 Exact Mass 177.078979 MonoIsotopic Mass 177.078979 Topological Polar Surface Area 29.5 Heavy Atom Count 13 Formal Charge 0 Complexity 197 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: 3-(4-methylphenyl)-1,3-oxazolidin-2-one
Canonical SMILES: CC1=CC=C(C=C1)N2CCOC2=O
InChI: InChI=1/C10H11NO2/c1-8-2-4-9(5-3-8)11-6-7-13-10(11)12/h2-5H,6-7H2,1H3
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