| CAS Number | 1204296-71-8 |
| Catalog Number | AG01AQ7R(AGN-PC-0WOLL4) |
| Chemical Name | 6-(2-Methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H11NO4/c1-18-11-5-3-2-4-8(11)10-7-6-9(13(16)17)12(15)14-10/h2-7H,1H3,(H,14,15)(H,16,17) |
| InChI Key | XPGPOQYIQZJMHK-UHFFFAOYSA-N |
| MDL Number | MFCD16437663 |
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.2307 |
| SMILES | COC1=C(C2NC(=O)C(C(O)=O)=CC=2)C=CC=C1 |
| Synonyms | 1204296-71-8,
6-(2-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid,
ZINC38478119,
AKOS010924140,
MCULE-5613938306,
F2130-0168,
Z839026680,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.234g/mol |
| Monoisotopic Mass | 245.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number