| CAS Number | 24346-56-3 |
| Catalog Number | AG01A38T(AGN-PC-0R064G) |
| Chemical Name | Ethyl 2-benzoylbutanoate |
| IUPAC Name | ethyl 2-benzoylbutanoate |
| InChI | InChI=1S/C13H16O3/c1-3-11(13(15)16-4-2)12(14)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3 |
| InChI Key | NZRZNJONGRRTNF-UHFFFAOYSA-N |
| MDL Number | MFCD16077033 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| NSC Number | 265359 |
| SMILES | C(C1=CC=CC=C1)(=O)C(C(=O)OCC)CC |
| Synonyms | ethyl 2-benzoylbutanoate,
24346-56-3,
2-benzoylbutyric acid ethyl ester,
NSC265359,
Ethyl 2-benzoylbutyrate,
AC1L80VX,
SCHEMBL5450997,
DTXSID60312974,
NZRZNJONGRRTNF-UHFFFAOYSA-N,
AKOS010951711,
NE32922,
NSC-265359,
CID319779,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.268g/mol |
| Monoisotopic Mass | 220.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number