| CAS Number | 824426-32-6 |
| Catalog Number | AG005132(AGN-PC-0CTMLG) |
| Chemical Name | 2,5-Pyrrolidinedione, 1-[(azidoacetyl)oxy]- |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 2-azidoacetate |
| InChI | InChI=1S/C6H6N4O4/c7-9-8-3-6(13)14-10-4(11)1-2-5(10)12/h1-3H2 |
| InChI Key | FENNDBOWHRZLTQ-UHFFFAOYSA-N |
| MDL Number | MFCD24452499 |
| Molecular Formula | C6H6N4O4 |
| Molecular Weight | 198.1362 |
| SMILES | O=C(ON1C(=O)CCC1=O)CN=[N+]=[N-] |
| Synonyms | 824426-32-6,
Azidoacetic acid NHS ester,
2,5-dioxopyrrolidin-1-yl 2-azidoacetate,
2,5-Pyrrolidinedione, 1-[(azidoacetyl)oxy]-,
CTK3D9466,
DTXSID30731335,
AKOS030227956,
ZINC100484636,
BP-22467,
1-[(Azidoacetyl)oxy]pyrrolidine-2,5-dione,
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| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.138g/mol |
| Monoisotopic Mass | 198.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number