| CAS Number | 1797723-62-6 |
| Catalog Number | AG01ABSF |
| Chemical Name | 4-(4-ethoxy-3-fluorophenyl)-4-oxobutanoic acid |
| IUPAC Name | 4-(4-ethoxy-3-fluorophenyl)-4-oxobutanoic acid |
| InChI | InChI=1S/C12H13FO4/c1-2-17-11-5-3-8(7-9(11)13)10(14)4-6-12(15)16/h3,5,7H,2,4,6H2,1H3,(H,15,16) |
| InChI Key | HXZRWFLDERXQFQ-UHFFFAOYSA-N |
| MDL Number | MFCD26935980 |
| Molecular Formula | C12H13FO4 |
| Molecular Weight | 240.2276 |
| SMILES | CCOC1=C(F)C=C(C(CCC(O)=O)=O)C=C1 |
| Synonyms | 4-(4-ethoxy-3-fluorophenyl)-4-oxobutanoic acid,
1797723-62-6,
ZINC71549997,
AKOS027549883,
MCULE-4328496446,
Z1708090040,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.23g/mol |
| Monoisotopic Mass | 240.08g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number