| CAS Number | 2138157-80-7 |
| Catalog Number | AG01EL2H |
| Chemical Name | 4-[1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl]benzoic acid |
| IUPAC Name | 4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]benzoic acid |
| InChI | InChI=1S/C15H20O4/c1-14(2,3)19-13(18)15(4,5)11-8-6-10(7-9-11)12(16)17/h6-9H,1-5H3,(H,16,17) |
| InChI Key | CTWFWIJVFABQCE-UHFFFAOYSA-N |
| MDL Number | MFCD31439563 |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.3169 |
| SMILES | C(C)(C)(C)OC(C(C)(C)C1=CC=C(C(=O)O)C=C1)=O |
| Synonyms | AKOS034170877,
4-[1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl]benzoic acid,
2138157-80-7,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.321g/mol |
| Monoisotopic Mass | 264.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number