| CAS Number | 1373029-18-5 |
| Catalog Number | AG00HUV9(AGN-PC-0WG4GA) |
| Chemical Name | Tert-Butyl 8-(Hydroxymethyl)-5-Thia-2-Azaspiro[3.4]Octane-2-Carboxylate 5,5-Dioxide |
| IUPAC Name | tert-butyl 8-(hydroxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxylate |
| InChI | InChI=1S/C12H21NO5S/c1-11(2,3)18-10(15)13-7-12(8-13)9(6-14)4-5-19(12,16)17/h9,14H,4-8H2,1-3H3 |
| InChI Key | HVUXRNDAOUSVLC-UHFFFAOYSA-N |
| MDL Number | MFCD22209757 |
| Molecular Formula | C12H21NO5S |
| Molecular Weight | 291.3638 |
| SMILES | CC(C)(C)OC(=O)N1CC2(C1)C(CO)CCS2(=O)=O |
| Synonyms | 1373029-18-5,
tert-butyl 8-(hydroxymethyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate 5,5-dioxide,
MFCD22209757,
SB22610,
AM805087,
CS-0035434,
t-Butyl 8-(hydroxymethyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate 5,5-dioxide,
tert-butyl 8-(hydroxymethyl)-5,5-dioxo-5-thia-2-azaspiro[3.4]octane-2-carboxylate,
Tert-butyl 8-(hydroxymethyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate5,5-dioxide,
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| Complexity | 467 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.362g/mol |
| Monoisotopic Mass | 291.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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