| CAS Number | 119888-86-7 |
| Catalog Number | AG01BA9T(AGN-PC-0NZZCJ) |
| Chemical Name | tert-Butyl 2,2-dimethyl-3-oxobutanoate |
| IUPAC Name | tert-butyl 2,2-dimethyl-3-oxobutanoate |
| InChI | InChI=1S/C10H18O3/c1-7(11)10(5,6)8(12)13-9(2,3)4/h1-6H3 |
| InChI Key | WWYNTBCZPIPUDJ-UHFFFAOYSA-N |
| MDL Number | MFCD29067687 |
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.2481 |
| SMILES | CC(C(C(OC(C)(C)C)=O)(C)C)=O |
| Synonyms | tert-butyl 2,2-dimethyl-3-oxobutanoate,
119888-86-7,
SCHEMBL16787839,
ZINC197273988,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.251g/mol |
| Monoisotopic Mass | 186.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number