| CAS Number | 1858242-47-3 |
| Catalog Number | AG01FFNX(AGN-PC-3H4A8A) |
| Chemical Name | 2,5-Dioxopyrrolidin-1-yl 2-(prop-2-yn-1-yloxy)acetate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 2-prop-2-ynoxyacetate |
| InChI | InChI=1S/C9H9NO5/c1-2-5-14-6-9(13)15-10-7(11)3-4-8(10)12/h1H,3-6H2 |
| InChI Key | LWHYEJZRFPVDLO-UHFFFAOYSA-N |
| MDL Number | MFCD29067173 |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.1715 |
| SMILES | C(C#C)OCC(=O)ON1C(CCC1=O)=O |
| Synonyms | MFCD29067173,
2-(Propynyloxy)acetic acid-NHS-ester,
1858242-47-3,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.173g/mol |
| Monoisotopic Mass | 211.048g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number