| CAS Number | 1333753-40-4 |
| Catalog Number | AG01AKKX |
| Chemical Name | 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoic acid |
| IUPAC Name | 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoic acid |
| InChI | InChI=1S/C12H11NO4/c14-10-6-9(11(15)13-10)5-7-1-3-8(4-2-7)12(16)17/h1-4,9H,5-6H2,(H,16,17)(H,13,14,15) |
| InChI Key | KPNKKMDVTULRAR-UHFFFAOYSA-N |
| MDL Number | MFCD20233488 |
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.2200 |
| SMILES | OC(C1=CC=C(CC2C(=O)NC(=O)C2)C=C1)=O |
| Synonyms | 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoic acid,
1333753-40-4,
AKOS033196666,
MCULE-8606264112,
NE29772,
EN300-84473,
Z1255523325,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.223g/mol |
| Monoisotopic Mass | 233.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number