| CAS Number | 84243-24-3 |
| Catalog Number | AG00IDD5(AGN-PC-0UR36Y) |
| Chemical Name | 3-Oxo-1-oxa-4,9-diaza-spiro[5.5]undecane-9-carboxylic acid benzyl ester |
| IUPAC Name | benzyl 3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate |
| InChI | InChI=1S/C16H20N2O4/c19-14-11-22-16(12-17-14)6-8-18(9-7-16)15(20)21-10-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,17,19) |
| InChI Key | YGJHKLNLYIXWMG-UHFFFAOYSA-N |
| MDL Number | MFCD09758966 |
| Molecular Formula | C16H20N2O4 |
| Molecular Weight | 304.3410 |
| SMILES | O=C1COC2(CCN(C(=O)OCc3ccccc3)CC2)CN1 |
| Synonyms | 84243-24-3,
benzyl 3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate,
3-Oxo-1-oxa-4,9-diaza-spiro[5.5]undecane-9-carboxylic acid benzyl ester,
KS-000008QM,
MFCD09758966,
ZINC19927759,
MCULE-5259633909,
SB23227,
AS-40220,
CS-0049833,
AS-710/43364294,
YGJHKLNLYIXWMG-UHFFFAOYSA-N,
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| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.346g/mol |
| Monoisotopic Mass | 304.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number