| CAS Number | 1799788-29-6 |
| Catalog Number | AG01FDN8(AGN-PC-3H49PD) |
| Chemical Name | Benzene-1,3-dicarbonyloxysuccinimide |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-formylbenzoate |
| InChI | InChI=1S/C12H9NO5/c14-7-8-2-1-3-9(6-8)12(17)18-13-10(15)4-5-11(13)16/h1-3,6-7H,4-5H2 |
| InChI Key | LFPMOOZJFWAQTO-UHFFFAOYSA-N |
| MDL Number | MFCD28166237 |
| Molecular Formula | C12H9NO5 |
| Molecular Weight | 247.2036 |
| SMILES | O=Cc1cccc(c1)C(=O)ON1C(=O)CCC1=O |
| Synonyms | Benzene-1,3-dicarbonyloxysuccinimide,
1799788-29-6,
ZINC219040657,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.206g/mol |
| Monoisotopic Mass | 247.048g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number