CAS
954236-28-3 Purity
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954236-28-3 Purity
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Specification
The molecular formula is C13H21NO4.
The molecular weight is 255.31 g/mol.
The IUPAC name is tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
The InChI is InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h4-9H2,1-3H3.
The InChIKey is XDSCHYPLQWGQRC-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CO2.
The CAS number is 954236-44-3.
The XLogP3-AA value is 0.9.
Yes, it is a canonicalized compound.