| CAS Number | 56308-60-2 |
| Catalog Number | AG01DWI1 |
| Chemical Name | 2-{4-[(4-methylpyridin-2-yl)oxy]phenyl}acetic acid |
| IUPAC Name | 2-[4-(4-methylpyridin-2-yl)oxyphenyl]acetic acid |
| InChI | InChI=1S/C14H13NO3/c1-10-6-7-15-13(8-10)18-12-4-2-11(3-5-12)9-14(16)17/h2-8H,9H2,1H3,(H,16,17) |
| InChI Key | BZVCSKJCOAVBFE-UHFFFAOYSA-N |
| MDL Number | MFCD16506672 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | CC1=CC(OC2=CC=C(CC(O)=O)C=C2)=NC=C1 |
| Synonyms | 2-(4-((4-methylpyridin-2-yl)oxy)phenyl)acetic acid,
56308-60-2,
AKOS010993905,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number