| CAS Number | 1340481-80-2 |
| Catalog Number | AG009VQJ(AGN-PC-0WA74J) |
| Chemical Name | 2-tert-Butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate 5,5-dioxide |
| IUPAC Name | 2-O-tert-butyl 8-O-methyl 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate |
| InChI | InChI=1S/C13H21NO6S/c1-12(2,3)20-11(16)14-7-13(8-14)9(10(15)19-4)5-6-21(13,17)18/h9H,5-8H2,1-4H3 |
| InChI Key | SGURKCGAVXZZLF-UHFFFAOYSA-N |
| MDL Number | MFCD22370063 |
| Molecular Formula | C13H21NO6S |
| Molecular Weight | 319.3739 |
| SMILES | COC(=O)C1CCS(=O)(=O)C11CN(C1)C(=O)OC(C)(C)C |
| Synonyms | 1340481-80-2,
2-TERT-BUTYL 8-METHYL 5-THIA-2-AZASPIRO[3.4]OCTANE-2,8-DICARBOXYLATE 5,5-DIOXIDE,
MFCD22370063,
AKOS027384206,
OR312214,
CS-0038516,
2-(tert-Butyl) 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate 5,5-dioxide,
2-O-tert-butyl 8-O-methyl 5,5-dioxo-5$l^{6-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate,
2-t-Butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate 5,5-dioxide,
2-Tert-butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate5,5-dioxide,
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| Complexity | 550 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.372g/mol |
| Monoisotopic Mass | 319.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 98.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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