| CAS Number | 1951444-50-0 |
| Catalog Number | AG00I3BP(AGN-PC-0WR48C) |
| Chemical Name | 1-(4-Nitrophenyl)-2-oxopyridine-3-carboxylic acid |
| IUPAC Name | 1-(4-nitrophenyl)-2-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H8N2O5/c15-11-10(12(16)17)2-1-7-13(11)8-3-5-9(6-4-8)14(18)19/h1-7H,(H,16,17) |
| InChI Key | FUIJYCKOHMZKNT-UHFFFAOYSA-N |
| MDL Number | MFCD29764424 |
| Molecular Formula | C12H8N2O5 |
| Molecular Weight | 260.2023 |
| SMILES | [O-][N+](=O)c1ccc(cc1)n1cccc(c1=O)C(=O)O |
| Synonyms | 1-(4-Nitrophenyl)-2-oxopyridine-3-carboxylic acid,
1951444-50-0,
ZINC390823818,
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| Complexity | 469 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.205g/mol |
| Monoisotopic Mass | 260.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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