| CAS Number | 1453315-70-2 |
| Catalog Number | AG00HXF1(AGN-PC-0WG4H8) |
| Chemical Name | tert-butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate |
| IUPAC Name | tert-butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate |
| InChI | InChI=1S/C11H19NO3S/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-16-11/h8,13H,4-7H2,1-3H3 |
| InChI Key | AODXOUPGRJCVQY-UHFFFAOYSA-N |
| MDL Number | MFCD27664877 |
| Molecular Formula | C11H19NO3S |
| Molecular Weight | 245.3385 |
| SMILES | CC(C)(C)OC(=O)N1CC2(C1)CC(CS2)O |
| Synonyms | tert-butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate,
1453315-70-2,
SCHEMBL17960407,
MFCD27664877,
AKOS026716959,
FCH3125791,
OR312379,
CS-0037871,
F2147-4230,
t-Butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate,
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| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.337g/mol |
| Monoisotopic Mass | 245.109g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number