| CAS Number | 1955497-88-7 |
| Catalog Number | AG01C6KX |
| Chemical Name | 3-(tert-butoxy)-2-methoxy-2-methyl-3-oxopropanoic acid |
| IUPAC Name | 2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid |
| InChI | InChI=1S/C9H16O5/c1-8(2,3)14-7(12)9(4,13-5)6(10)11/h1-5H3,(H,10,11) |
| InChI Key | VKEXGIHUNWGURM-UHFFFAOYSA-N |
| MDL Number | MFCD30180396 |
| Molecular Formula | C9H16O5 |
| Molecular Weight | 204.2203 |
| SMILES | COC(C(OC(C)(C)C)=O)(C(O)=O)C |
| Synonyms | 3-(tert-butoxy)-2-methoxy-2-methyl-3-oxopropanoic acid,
1955497-88-7,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.222g/mol |
| Monoisotopic Mass | 204.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number