| CAS Number | 1134280-63-9 |
| Catalog Number | AG01FFML(AGN-PC-3H4A6L) |
| Chemical Name | 2,5-dioxopyrrolidin-1-yl 3-(benzyloxy)propanoate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate |
| InChI | InChI=1S/C14H15NO5/c16-12-6-7-13(17)15(12)20-14(18)8-9-19-10-11-4-2-1-3-5-11/h1-5H,6-10H2 |
| InChI Key | NSJDNWOGFMFTKV-UHFFFAOYSA-N |
| MDL Number | MFCD20230383 |
| Molecular Formula | C14H15NO5 |
| Molecular Weight | 277.2726 |
| SMILES | O=C(ON1C(=O)CCC1=O)CCOCc1ccccc1 |
| Synonyms | 2,5-Dioxopyrrolidin-1-yl 3-(benzyloxy)propanoate,
1134280-63-9,
ZINC390743346,
A1-08731,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.276g/mol |
| Monoisotopic Mass | 277.095g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number