| CAS Number | 1261896-71-2 |
| Catalog Number | AG009WSD(AGN-PC-0WA7FA) |
| Chemical Name | 3-(4-Hydroxymethylphenyl)picolinic acid |
| IUPAC Name | 3-[4-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H11NO3/c15-8-9-3-5-10(6-4-9)11-2-1-7-14-12(11)13(16)17/h1-7,15H,8H2,(H,16,17) |
| InChI Key | DKNNEDTUDAFYKL-UHFFFAOYSA-N |
| MDL Number | MFCD18316938 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | OCc1ccc(cc1)c1cccnc1C(=O)O |
| Synonyms | 3-(4-HYDROXYMETHYLPHENYL)PICOLINIC ACID,
1261896-71-2,
MFCD18316938,
ZINC65347316,
Z9108,
K-2205,
C13H11NO3,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number