| CAS Number | 2007920-45-6 |
| Catalog Number | AG01EFNT |
| Chemical Name | tert-Butyl 4-methyl-3,5-dioxo-2-azabicyclo[2.2.2]octane-2-carboxylate |
| IUPAC Name | tert-butyl 4-methyl-3,5-dioxo-2-azabicyclo[2.2.2]octane-2-carboxylate |
| InChI | InChI=1S/C13H19NO4/c1-12(2,3)18-11(17)14-8-5-6-13(4,10(14)16)9(15)7-8/h8H,5-7H2,1-4H3 |
| InChI Key | PBGRPEXKXVOSTC-UHFFFAOYSA-N |
| MDL Number | MFCD30472021 |
| Molecular Formula | C13H19NO4 |
| Molecular Weight | 253.2943 |
| SMILES | CC(C)(C)OC(=O)N1C2CCC(C)(C(=O)C2)C1=O |
| Synonyms | tert-Butyl 4-methyl-3,5-dioxo-2-azabicyclo[2.2.2]octane-2-carboxylate,
2007920-45-6,
MFCD30472021,
AKOS030628299,
CS-0039459,
t-Butyl 4-methyl-3,5-dioxo-2-azabicyclo[2.2.2]octane-2-carboxylate,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.298g/mol |
| Monoisotopic Mass | 253.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number