| CAS Number | 1346229-50-2 |
| Catalog Number | AG01BICM |
| Chemical Name | tert-Butyl 4-oxo-1-oxa-9-azaspiro[5.5]undec-2-ene-9-carboxylate |
| IUPAC Name | tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undec-2-ene-9-carboxylate |
| InChI | InChI=1S/C14H21NO4/c1-13(2,3)19-12(17)15-7-5-14(6-8-15)10-11(16)4-9-18-14/h4,9H,5-8,10H2,1-3H3 |
| InChI Key | NGVQWGUTUXGNJC-UHFFFAOYSA-N |
| MDL Number | MFCD24471469 |
| Molecular Formula | C14H21NO4 |
| Molecular Weight | 267.3208 |
| SMILES | CC(OC(N1CCC2(OC=CC(=O)C2)CC1)=O)(C)C |
| Synonyms | tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undec-2-ene-9-carboxylate,
1346229-50-2,
SCHEMBL15133881,
NGVQWGUTUXGNJC-UHFFFAOYSA-N,
ZINC224922039,
tert-butyl 8-oxo-11-oxa-3-azaspiro[5.5]undec-9-ene-3-carboxylate,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.325g/mol |
| Monoisotopic Mass | 267.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number