| CAS Number | 1261948-89-3 |
| Catalog Number | AG000S7P(AGN-PC-09Q3NS) |
| Chemical Name | 6-(4-Carboxyphenyl)picolinic acid |
| IUPAC Name | 6-(4-carboxyphenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H9NO4/c15-12(16)9-6-4-8(5-7-9)10-2-1-3-11(14-10)13(17)18/h1-7H,(H,15,16)(H,17,18) |
| InChI Key | RTHKLEMDIJYCDV-UHFFFAOYSA-N |
| MDL Number | MFCD18317344 |
| Molecular Formula | C13H9NO4 |
| Molecular Weight | 243.2149 |
| SMILES | OC(=O)c1ccc(cc1)c1cccc(n1)C(=O)O |
| Synonyms | 6-(4-Carboxyphenyl)picolinic acid,
1261948-89-3,
ACMC-209b72,
CTK8A9797,
DTXSID80687454,
ANW-18780,
MFCD18317344,
ZINC65347761,
AJ-115365,
AX8243460,
TC-107525,
Z9193,
6-(4-carboxyphenyl)pyridine-2-carboxylic acid,
B-6941,
2-Pyridinecarboxylic acid, 6-(4-carboxyphenyl)-,
C13H9NO4,
6-(4-Carboxyphenyl)picolinicacid,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.218g/mol |
| Monoisotopic Mass | 243.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number