| CAS Number | 777919-03-6 |
| Catalog Number | AG01BES3 |
| Chemical Name | 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5-nitrobenzoic acid |
| IUPAC Name | 2-(2,5-dioxopyrrol-1-yl)-5-nitrobenzoic acid |
| InChI | InChI=1S/C11H6N2O6/c14-9-3-4-10(15)12(9)8-2-1-6(13(18)19)5-7(8)11(16)17/h1-5H,(H,16,17) |
| InChI Key | LAFJWKZCAQPANK-UHFFFAOYSA-N |
| MDL Number | MFCD06220694 |
| Molecular Formula | C11H6N2O6 |
| Molecular Weight | 262.1751 |
| SMILES | OC(C1=C(N2C(=O)C=CC2=O)C=CC([N+]([O-])=O)=C1)=O |
| Synonyms | 2-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-1-YL)-5-NITROBENZOIC ACID,
777919-03-6,
CTK7H1388,
ZINC60393821,
AKOS009129161,
|
| Complexity | 462 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.177g/mol |
| Monoisotopic Mass | 262.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number