| CAS Number | 203662-19-5 |
| Catalog Number | AG002920(AGN-PC-0QTVSF) |
| Chemical Name | 2-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate |
| InChI | InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)17-9-13/h4-9H2,1-3H3 |
| InChI Key | AHKBUIGOMZWYMG-UHFFFAOYSA-N |
| MDL Number | MFCD24467002 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=C1OCC2(C1)CCN(CC2)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate,
203662-19-5,
SCHEMBL6783584,
AHKBUIGOMZWYMG-UHFFFAOYSA-N,
KS-000005AC,
MFCD24467002,
AKOS025291050,
ZINC147660166,
FCH1660134,
AK171214,
AS-51939,
8-Boc-2-oxa-8-azaspiro[4.5]decan-3-one,
CS-0048271,
2-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number