| CAS Number | 1232542-21-0 |
| Catalog Number | AG009VHL |
| Chemical Name | Benzyl 8-oxo-5-azaspiro[2.5]octane-5-carboxylate |
| IUPAC Name | benzyl 8-oxo-5-azaspiro[2.5]octane-5-carboxylate |
| InChI | InChI=1S/C15H17NO3/c17-13-6-9-16(11-15(13)7-8-15)14(18)19-10-12-4-2-1-3-5-12/h1-5H,6-11H2 |
| InChI Key | GDOXXSFSNQTKMD-UHFFFAOYSA-N |
| MDL Number | MFCD22689302 |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.3004 |
| SMILES | O=C(N(CCC1=O)CC21CC2)OCC3=CC=CC=C3 |
| Synonyms | BENZYL 8-OXO-5-AZASPIRO[2.5]OCTANE-5-CARBOXYLATE,
1232542-21-0,
8-Oxo-5-aza-spiro[2.5]octane-5-carboxylic acid benzyl ester,
SCHEMBL20399800,
3857AJ,
MFCD22689302,
ZINC95643268,
AKOS027254147,
AS-41869,
X-3083,
8-Oxo-5-aza-spiro2.5octane-5-carboxylic acid benzyl ester,
C15H17NO3,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.305g/mol |
| Monoisotopic Mass | 259.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number