| CAS Number | 1955560-88-9 |
| Catalog Number | AG01C5BU |
| Chemical Name | 4-(2-(tert-Butoxy)-2-oxoethyl)tetrahydro-2H-pyran-4-carboxylic acid |
| IUPAC Name | 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxane-4-carboxylic acid |
| InChI | InChI=1S/C12H20O5/c1-11(2,3)17-9(13)8-12(10(14)15)4-6-16-7-5-12/h4-8H2,1-3H3,(H,14,15) |
| InChI Key | QACCOGYLZTWYBC-UHFFFAOYSA-N |
| MDL Number | MFCD29991365 |
| Molecular Formula | C12H20O5 |
| Molecular Weight | 244.2842 |
| SMILES | O=C(C1(CC(OC(C)(C)C)=O)CCOCC1)O |
| Synonyms | 4-[2-(tert-butoxy)-2-oxoethyl]oxane-4-carboxylic acid,
1955560-88-9,
AKOS033931982,
ZINC390822196,
Z2507870649,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.287g/mol |
| Monoisotopic Mass | 244.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number