| CAS Number | 1019457-35-2 |
| Catalog Number | AG019Z23 |
| Chemical Name | Ethyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate |
| IUPAC Name | ethyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C14H16O4/c1-4-18-14(17)13(16)8-12(15)11-6-5-9(2)10(3)7-11/h5-7H,4,8H2,1-3H3 |
| InChI Key | PUGQIIOTHJFXBQ-UHFFFAOYSA-N |
| MDL Number | MFCD11523438 |
| Molecular Formula | C14H16O4 |
| Molecular Weight | 248.2744 |
| SMILES | CCOC(C(CC(C1=CC(C)=C(C)C=C1)=O)=O)=O |
| Synonyms | ethyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate,
1019457-35-2,
AKOS000210498,
ZINC100443847,
NE24955,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.278g/mol |
| Monoisotopic Mass | 248.105g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number