| CAS Number | 1453315-68-8 |
| Catalog Number | AG00HXF0(AGN-PC-0WG4HM) |
| Chemical Name | tert-Butyl 7-oxo-5-thia-2-azaspiro[3.4]octane-2-carboxylate |
| IUPAC Name | tert-butyl 7-oxo-5-thia-2-azaspiro[3.4]octane-2-carboxylate |
| InChI | InChI=1S/C11H17NO3S/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-16-11/h4-7H2,1-3H3 |
| InChI Key | FHOZIXXVWRTGSO-UHFFFAOYSA-N |
| MDL Number | MFCD27664878 |
| Molecular Formula | C11H17NO3S |
| Molecular Weight | 243.3226 |
| SMILES | O=C(N1CC2(C1)SCC(=O)C2)OC(C)(C)C |
| Synonyms | tert-butyl 7-oxo-5-thia-2-azaspiro[3.4]octane-2-carboxylate,
1453315-68-8,
MFCD27664878,
AKOS026716958,
ZINC258828193,
FCH3125792,
AK486308,
DS-18941,
OR312378,
CS-0038392,
F2147-4229,
na,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.321g/mol |
| Monoisotopic Mass | 243.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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