| CAS Number | 1225506-25-1 |
| Catalog Number | AG00HGS3 |
| Chemical Name | 3-(4-Methylphenyl)picolinic acid |
| IUPAC Name | 3-(4-methylphenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H11NO2/c1-9-4-6-10(7-5-9)11-3-2-8-14-12(11)13(15)16/h2-8H,1H3,(H,15,16) |
| InChI Key | MEBSKTFICDSWRF-UHFFFAOYSA-N |
| MDL Number | MFCD16308586 |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.2319 |
| SMILES | Cc1ccc(cc1)c1cccnc1C(=O)O |
| Synonyms | 1225506-25-1,
3-(4-Methylphenyl)picolinic acid,
3-(p-Tolyl)picolinic acid,
3-(4-Methylphenyl)-2-pyridinecarboxylic acid,
SCHEMBL2323790,
MFCD16308586,
ZINC41226833,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.236g/mol |
| Monoisotopic Mass | 213.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number