| CAS Number | 1312411-21-4 |
| Catalog Number | AG01BCEC |
| Chemical Name | 6-[(tert-butoxy)carbonyl]-8-fluoro-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid |
| IUPAC Name | 5-fluoro-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-7-azaspiro[3.4]octane-5-carboxylic acid |
| InChI | InChI=1S/C12H18FNO5/c1-10(2,3)19-9(17)14-4-11(6-18-7-11)12(13,5-14)8(15)16/h4-7H2,1-3H3,(H,15,16) |
| InChI Key | SXHOZQXPJZPADE-UHFFFAOYSA-N |
| MDL Number | MFCD29033799 |
| Molecular Formula | C12H18FNO5 |
| Molecular Weight | 275.2734 |
| SMILES | CC(OC(N1CC(C(O)=O)(F)C2(COC2)C1)=O)(C)C |
| Synonyms | 1312411-21-4,
6-(tert-Butoxycarbonyl)-8-fluoro-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid,
6-[(tert-butoxy)carbonyl]-8-fluoro-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid,
CS-0067267,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.276g/mol |
| Monoisotopic Mass | 275.117g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number