| CAS Number | 1352723-48-8 |
| Catalog Number | AG009W3H(AGN-PC-0WD303) |
| Chemical Name | 2,2-Dimethyl-3,5-dioxo-pyrrolidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 2,2-dimethyl-3,5-dioxopyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-8(14)6-7(13)11(12,4)5/h6H2,1-5H3 |
| InChI Key | WAXXNFZYMOMJPD-UHFFFAOYSA-N |
| MDL Number | MFCD20921532 |
| Molecular Formula | C11H17NO4 |
| Molecular Weight | 227.2570 |
| SMILES | CC(C)(C)OC(=O)N1C(=O)CC(=O)C1(C)C |
| Synonyms | 1352723-48-8,
tert-Butyl 2,2-dimethyl-3,5-dioxopyrrolidine-1-carboxylate,
2,2-Dimethyl-3,5-dioxo-pyrrolidine-1-carboxylic acid tert-butyl ester,
SCHEMBL17725946,
DTXSID20856723,
ZINC100088913,
FCH1631144,
AX8259148,
Z-9380,
WAXXNFZYMOMJPD-UHFFFAOYSA-N,
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| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.26g/mol |
| Monoisotopic Mass | 227.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number