| CAS Number | 1251009-46-7 |
| Catalog Number | AG009ZY5(AGN-PC-0WG4EO) |
| Chemical Name | 2-(tert-Butoxycarbonyl)-5-oxa-2-azaspiro[3.4]octane-7-carboxylic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azaspiro[3.4]octane-7-carboxylic acid |
| InChI | InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-6-12(7-13)4-8(5-17-12)9(14)15/h8H,4-7H2,1-3H3,(H,14,15) |
| InChI Key | YQIOAEQQZQISNG-UHFFFAOYSA-N |
| MDL Number | MFCD14581235 |
| Molecular Formula | C12H19NO5 |
| Molecular Weight | 257.2830 |
| SMILES | O=C(N1CC2(C1)OCC(C2)C(=O)O)OC(C)(C)C |
| Synonyms | 2-(tert-Butoxycarbonyl)-5-oxa-2-azaspiro[3.4]octane-7-carboxylic acid,
1251009-46-7,
SCHEMBL17973605,
MFCD14581235,
AM805446,
CS-0037850,
5-Oxa-2-aza-spiro[3.4]octane-2,7-dicarboxylicacid2-tert-butylester,
2-(t-Butoxycarbonyl)-5-oxa-2-azaspiro[3.4]octane-7-carboxylic acid,
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| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.286g/mol |
| Monoisotopic Mass | 257.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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