| CAS Number | 55696-39-4 |
| Catalog Number | AG01EWG5(AGN-PC-0SJFBX) |
| Chemical Name | Methyl 3-oxo-4-phenylpentanoate |
| IUPAC Name | methyl 3-oxo-4-phenylpentanoate |
| InChI | InChI=1S/C12H14O3/c1-9(10-6-4-3-5-7-10)11(13)8-12(14)15-2/h3-7,9H,8H2,1-2H3 |
| InChI Key | OGKWBEZBGZPJGJ-UHFFFAOYSA-N |
| MDL Number | MFCD15143175 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | O=C(CC(=O)OC)C(C)C1C=CC=CC=1 |
| Synonyms | methyl 3-oxo-4-phenylpentanoate,
3-Oxo-4-phenyl-pentanoic acid methyl ester,
55696-39-4,
AKOS004910649,
MCULE-4943533083,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number