| CAS Number | 1261967-40-1 |
| Catalog Number | AG009WTM(AGN-PC-0WA91B) |
| Chemical Name | 4-(2,4-Dimethylphenyl)picolinic acid |
| IUPAC Name | 4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C14H13NO2/c1-9-3-4-12(10(2)7-9)11-5-6-15-13(8-11)14(16)17/h3-8H,1-2H3,(H,16,17) |
| InChI Key | UDARWLWTCNKGBU-UHFFFAOYSA-N |
| MDL Number | MFCD18316887 |
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.2585 |
| SMILES | Cc1ccc(c(c1)C)c1ccnc(c1)C(=O)O |
| Synonyms | 4-(2,4-Dimethylphenyl)picolinic acid,
1261967-40-1,
MFCD18316887,
ZINC65347257,
Z9234,
C14H13NO2,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.263g/mol |
| Monoisotopic Mass | 227.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number