| CAS Number | 860773-41-7 |
| Catalog Number | AG004P6K(AGN-PC-009394) |
| Chemical Name | Ethyl 4-(2-acetylphenyl)benzoate |
| IUPAC Name | ethyl 4-(2-acetylphenyl)benzoate |
| InChI | InChI=1S/C17H16O3/c1-3-20-17(19)14-10-8-13(9-11-14)16-7-5-4-6-15(16)12(2)18/h4-11H,3H2,1-2H3 |
| InChI Key | DQQVOXHWONJCOZ-UHFFFAOYSA-N |
| MDL Number | MFCD20441870 |
| Molecular Formula | C17H16O3 |
| Molecular Weight | 268.3071 |
| SMILES | CCOC(=O)c1ccc(cc1)c1ccccc1C(=O)C |
| Synonyms | Ethyl 4-(2-acetylphenyl)benzoate,
860773-41-7,
ACMC-209q8j,
CTK8B2476,
DTXSID90465886,
ANW-38273,
MFCD20441870,
ZINC74937792,
AKOS026673842,
CJ-21778,
TC-127018,
B-8459,
2'-Acetylbiphenyl-4-carboxylic acid ethyl ester,
CID11437099,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.312g/mol |
| Monoisotopic Mass | 268.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number