| CAS Number | 74530-59-9 |
| Catalog Number | AG01AP0B(AGN-PC-02WQ8A) |
| Chemical Name | TERT-BUTYL 4-METHOXY-3-OXOBUTANOATE |
| IUPAC Name | tert-butyl 4-methoxy-3-oxobutanoate |
| InChI | InChI=1S/C9H16O4/c1-9(2,3)13-8(11)5-7(10)6-12-4/h5-6H2,1-4H3 |
| InChI Key | LOFQPGJUYHMGIO-UHFFFAOYSA-N |
| MDL Number | MFCD25966859 |
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.2209 |
| SMILES | COCC(CC(OC(C)(C)C)=O)=O |
| Synonyms | tert-butyl 4-methoxy-3-oxobutanoate,
74530-59-9,
SCHEMBL3821975,
LOFQPGJUYHMGIO-UHFFFAOYSA-N,
ZINC168178975,
3-Oxo-4-methoxybutyric acid tert-butyl ester,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.223g/mol |
| Monoisotopic Mass | 188.105g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number