| CAS Number | 121925-55-1 |
| Catalog Number | AG009JU6(AGN-PC-0O0CK8) |
| Chemical Name | 4-Ethoxy-2,2-dimethyl-4-oxobutanoic acid |
| IUPAC Name | 4-ethoxy-2,2-dimethyl-4-oxobutanoic acid |
| InChI | InChI=1S/C8H14O4/c1-4-12-6(9)5-8(2,3)7(10)11/h4-5H2,1-3H3,(H,10,11) |
| InChI Key | KMLNYFITNFHXJU-UHFFFAOYSA-N |
| MDL Number | MFCD20638694 |
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.1944 |
| SMILES | OC(C(C)(C)CC(OCC)=O)=O |
| Synonyms | 4-ethoxy-2,2-dimethyl-4-oxobutanoic acid,
121925-55-1,
SCHEMBL1544762,
KMLNYFITNFHXJU-UHFFFAOYSA-N,
ZINC75564298,
AKOS022638860,
DA-47122,
2,2-Dimethyl-succinic acid 4-ethyl ester,
FT-0767369,
A1-00935,
Z2465619826,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.196g/mol |
| Monoisotopic Mass | 174.089g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number