| CAS Number | 32980-28-2 |
| Catalog Number | AG01BAWE(AGN-PC-0O8Z3I) |
| Chemical Name | 4-Ethoxy-3,3-dimethyl-4-oxobutanoic acid |
| IUPAC Name | 4-ethoxy-3,3-dimethyl-4-oxobutanoic acid |
| InChI | InChI=1S/C8H14O4/c1-4-12-7(11)8(2,3)5-6(9)10/h4-5H2,1-3H3,(H,9,10) |
| InChI Key | FLEVJFVPZSFNCH-UHFFFAOYSA-N |
| MDL Number | MFCD20638502 |
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.1944 |
| SMILES | CCOC(=O)C(C)(C)CC(=O)O |
| Synonyms | 4-ethoxy-3,3-dimethyl-4-oxobutanoic acid,
32980-28-2,
2,2-Dimethylbutandisaeure-1-ethylester,
SCHEMBL1829725,
FLEVJFVPZSFNCH-UHFFFAOYSA-N,
MFCD20638502,
ZINC34266054,
AKOS022638861,
AS-43406,
3-ethoxycarbonyl-3,3-dimethylpropionic acid,
EN300-211187,
Z2082977218,
|
| 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