| CAS Number | 1258621-89-4 |
| Catalog Number | AG009WS8(AGN-PC-0WNP1V) |
| Chemical Name | 2-(4-Methoxycarbonylphenyl)isonicotinic acid |
| IUPAC Name | 2-(4-methoxycarbonylphenyl)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C14H11NO4/c1-19-14(18)10-4-2-9(3-5-10)12-8-11(13(16)17)6-7-15-12/h2-8H,1H3,(H,16,17) |
| InChI Key | LPZDSRMLEOKDQE-UHFFFAOYSA-N |
| MDL Number | MFCD17079060 |
| Molecular Formula | C14H11NO4 |
| Molecular Weight | 257.2414 |
| SMILES | COC(=O)c1ccc(cc1)c1nccc(c1)C(=O)O |
| Synonyms | 1258621-89-4,
2-(4-METHOXYCARBONYLPHENYL)ISONICOTINIC ACID,
2-(4-Methoxycarbonylphenyl)-isonicotinic acid,
2-(4-(Methoxycarbonyl)phenyl)isonicotinic acid,
DTXSID90679507,
MFCD17079060,
ZINC65348272,
Z9012,
2-[4-(Methoxycarbonyl)phenyl]pyridine-4-carboxylic acid,
C14H11NO4,
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| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.245g/mol |
| Monoisotopic Mass | 257.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number