| CAS Number | 1036922-77-6 |
| Catalog Number | AG01C286 |
| Chemical Name | 4-[(tert-butoxy)carbonyl]oxane-4-carboxylic acid |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxycarbonyl]oxane-4-carboxylic acid |
| InChI | InChI=1S/C11H18O5/c1-10(2,3)16-9(14)11(8(12)13)4-6-15-7-5-11/h4-7H2,1-3H3,(H,12,13) |
| InChI Key | PNJCPUUNYFEPTA-UHFFFAOYSA-N |
| MDL Number | MFCD30342619 |
| Molecular Formula | C11H18O5 |
| Molecular Weight | 230.2576 |
| SMILES | CC(OC(C1(C(O)=O)CCOCC1)=O)(C)C |
| Synonyms | 4-[(tert-butoxy)carbonyl]oxane-4-carboxylic acid,
1036922-77-6,
SCHEMBL5360795,
ZINC204062539,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.26g/mol |
| Monoisotopic Mass | 230.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number