| CAS Number | 810677-16-8 |
| Catalog Number | AG00ID5W(AGN-PC-0UIM71) |
| Chemical Name | 1,1-Dimethylethyl 3-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]propanoate |
| IUPAC Name | tert-butyl 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate |
| InChI | InChI=1S/C13H19NO5/c1-13(2,3)19-12(17)6-8-18-9-7-14-10(15)4-5-11(14)16/h4-5H,6-9H2,1-3H3 |
| InChI Key | YFNQRZMVQPRONS-UHFFFAOYSA-N |
| MDL Number | MFCD28142478 |
| Molecular Formula | C13H19NO5 |
| Molecular Weight | 269.2937 |
| SMILES | O=C(OC(C)(C)C)CCOCCN1C(=O)C=CC1=O |
| Synonyms | Mal-PEG1-t-butyl ester,
810677-16-8,
BIPG1514,
SCHEMBL18089311,
ZINC219026664,
BP-22322,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.297g/mol |
| Monoisotopic Mass | 269.126g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number