| CAS Number | 1262412-28-1 |
| Catalog Number | AG01FOH8(AGN-PC-0WC74Y) |
| Chemical Name | (2-Oxo-pyrrolidin-1-yl)-phenyl-acetic acidethyl ester |
| IUPAC Name | ethyl 2-(2-oxopyrrolidin-1-yl)-2-phenylacetate |
| InChI | InChI=1S/C14H17NO3/c1-2-18-14(17)13(11-7-4-3-5-8-11)15-10-6-9-12(15)16/h3-5,7-8,13H,2,6,9-10H2,1H3 |
| InChI Key | NJOPOWZATJTRJE-UHFFFAOYSA-N |
| MDL Number | MFCD16875527 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | CCOC(=O)C(N1CCCC1=O)c1ccccc1 |
| Synonyms | (2-Oxo-pyrrolidin-1-yl)-phenyl-acetic acidethyl ester,
1262412-28-1,
BBL103415,
STL557225,
AKOS005258654,
ethyl (2-oxopyrrolidin-1-yl)(phenyl)acetate,
Z-1418,
ethyl 2-(2-oxopyrrolidin-1-yl)-2-phenylacetate,
(2-Oxo-pyrrolidin-1-yl)-phenyl-acetic acid ethyl ester,
(2-Oxo-pyrrolidin-1-yl)-phenyl-acetic acid ethyl ester, AldrichCPR,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.294g/mol |
| Monoisotopic Mass | 247.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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