| CAS Number | 1408076-15-2 |
| Catalog Number | AG001CUM(AGN-PC-0WBRLT) |
| Chemical Name | tert-butyl 3-oxo-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate |
| IUPAC Name | tert-butyl 3-oxo-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate |
| InChI | InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-6-4-12(5-7-13)9(14)8-16-12/h4-8H2,1-3H3 |
| InChI Key | AOIJOERXQRBNOV-UHFFFAOYSA-N |
| MDL Number | MFCD22628723 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | CC(C)(C)OC(=O)N1CCC2(CC1)OCC2=O |
| Synonyms | 1408076-15-2,
tert-butyl 3-oxo-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate,
7-BOC-1-OXA-3-OXO-7-AZASPIRO[3.5]NONANE,
KS-000007IN,
MFCD22628723,
ZINC95630822,
AKOS025290321,
FCH2893331,
PB36170,
SB20726,
AK172534,
AS-32717,
7-Boc-1-oxa-7-azaspiro[3.5]nonane-3-one,
CS-0048273,
Q-4773,
tert-Butyl 1-oxo-3-oxa-7-azaspiro[3.5]nonane-7-carboxylate,
1-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.287g/mol |
| Monoisotopic Mass | 241.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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