| CAS Number | 1373029-39-0 |
| Catalog Number | AG00HUVG(AGN-PC-0WG4G9) |
| Chemical Name | 2-(Tert-butoxycarbonyl)-5-thia-2-azaspiro[3.4]octane-8-carboxylic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-2-azaspiro[3.4]octane-8-carboxylic acid |
| InChI | InChI=1S/C12H19NO4S/c1-11(2,3)17-10(16)13-6-12(7-13)8(9(14)15)4-5-18-12/h8H,4-7H2,1-3H3,(H,14,15) |
| InChI Key | DUYKPSAHFAIBRQ-UHFFFAOYSA-N |
| MDL Number | MFCD22209752 |
| Molecular Formula | C12H19NO4S |
| Molecular Weight | 273.3486 |
| SMILES | CC(OC(N1CC2(C(C(O)=O)CCS2)C1)=O)(C)C |
| Synonyms | 1373029-39-0,
2-(tert-butoxycarbonyl)-5-thia-2-azaspiro[3.4]octane-8-carboxylic acid,
2-[(tert-Butoxy)carbonyl]-5-thia-2-azaspiro[3.4]octane-8-carboxylic acid,
MFCD22209752,
AKOS027429247,
SB22608,
AM805258,
CS-0057176,
2-(t-Butoxycarbonyl)-5-thia-2-azaspiro[3.4]octane-8-carboxylic acid,
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| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.347g/mol |
| Monoisotopic Mass | 273.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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