| CAS Number | 741286-35-1 |
| Catalog Number | AG00J6KA(AGN-PC-031MHG) |
| Chemical Name | Ethyl 4-(4-ethylphenyl)-2,4-dioxobutanoate |
| IUPAC Name | ethyl 4-(4-ethylphenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C14H16O4/c1-3-10-5-7-11(8-6-10)12(15)9-13(16)14(17)18-4-2/h5-8H,3-4,9H2,1-2H3 |
| InChI Key | SXHUDVZXCCWQGD-UHFFFAOYSA-N |
| MDL Number | MFCD11523439 |
| Molecular Formula | C14H16O4 |
| Molecular Weight | 248.2744 |
| SMILES | CCOC(C(CC(C1=CC=C(CC)C=C1)=O)=O)=O |
| Synonyms | ethyl 4-(4-ethylphenyl)-2,4-dioxobutanoate,
741286-35-1,
4-(4-ethylphenyl)-2,4-dioxobutanoic acid ethyl ester,
SCHEMBL2916273,
AKOS000210691,
ZINC100068647,
CCG-139357,
MCULE-6897141512,
FT-0741769,
SR-01000099733,
SR-01000099733-1,
|
| Complexity | 314 |
| 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 | 7 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number