| CAS Number | 60658-04-0 |
| Catalog Number | AG00EEYU(AGN-PC-0SX2YR) |
| Chemical Name | Benzeneacetic acid, 3-benzoyl-a-methyl-, ethyl ester |
| EC Number | 414-920-9 |
| IUPAC Name | ethyl 2-(3-benzoylphenyl)propanoate |
| InChI | InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3 |
| InChI Key | CQSMNXCTDMLMLM-UHFFFAOYSA-N |
| MDL Number | MFCD25292983 |
| Molecular Formula | C18H18O3 |
| Molecular Weight | 282.3337 |
| SMILES | C(C1=CC=CC=C1)(=O)C=1C=C(C=CC1)C(C(=O)OCC)C |
| Synonyms | Ketoprofen Ethyl Ester,
Ethyl 2-(3-benzoylphenyl)propanoate,
60658-04-0,
Ketoprofen ethyl,
SCHEMBL9555892,
DTXSID00432246,
Ethyl 2-(3-Benzoylphenyl)propionate,
FT-0670653,
3-Benzoyl-|A-methylbenzeneacetic Acid Ethyl Ester,
Ethyl 2-(3-Benzoylphenyl)propionate (Ketoprofen Ethyl Ester),
CID9878873,
EC 414-920-9,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.339g/mol |
| Monoisotopic Mass | 282.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number