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Methyl 3,3,5-trimethyl-5-isoxazolidinecarboxylate,5-Isoxazolidinecarbo

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摘 要:Methyl 3,3,5-trimethyl-5-isoxazolidinecarboxylate,5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester, methyl 3,3,5-trimethyl-1,2-oxazolidine-5-carboxylate,Canonical SMILES: CC1(CC(ON1)(C)C(=O)OC)C,InChI: InChI=1/C8H15NO3/c1-7(2)5-8(3,12-9
[Synonyms]
Methyl 3,3,5-trimethyl-5-isoxazolidinecarboxylate
5-Isoxazolidinecarboxylic acid, 3,3,5-trimethyl-, methyl ester

[Structure]
Methyl 3,3,5-trimethyl-5-isoxazolidinecarboxylate,5-Isoxazolidinecarbo

[ Properties Computed from Structure]
Molecular Weight173.2096 [g/mol]
Molecular FormulaC8H15NO3
XLogP1.1
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count2
Exact Mass173.105193
MonoIsotopic Mass173.105193
Topological Polar Surface Area47.6
Heavy Atom Count12
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: methyl 3,3,5-trimethyl-1,2-oxazolidine-5-carboxylate
Canonical SMILES: CC1(CC(ON1)(C)C(=O)OC)C
InChI: InChI=1/C8H15NO3/c1-7(2)5-8(3,12-9-7)6(10)11-4/h9H,5H2,1-4H3

 
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