| CAS Number | 72133-26-7 |
| Catalog Number | AG01C2NS(AGN-PC-0KOJ3Z) |
| Chemical Name | 5-(4-methylphenoxy)pyridine-2-carboxylic acid |
| IUPAC Name | 5-(4-methylphenoxy)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H11NO3/c1-9-2-4-10(5-3-9)17-11-6-7-12(13(15)16)14-8-11/h2-8H,1H3,(H,15,16) |
| InChI Key | MEZPFPIEWBDABE-UHFFFAOYSA-N |
| MDL Number | MFCD01704362 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | CC1=CC=C(OC2=CN=C(C(O)=O)C=C2)C=C1 |
| Synonyms | 5-(p-Tolyloxy)picolinic acid,
5-(4-methylphenoxy)pyridine-2-carboxylic acid,
72133-26-7,
ND186P3,
Picolinic acid, 5-(p-tolyloxy)-,
AC1MHP34,
SCHEMBL11420514,
DTXSID20222444,
ZINC33866526,
AKOS017547983,
LS-109691,
Z1680796613,
C13-H11-N-O3,
CID3055222,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number