| CAS Number | 1306607-09-9 |
| Catalog Number | AG01AIAL |
| Chemical Name | 3-{[(6-methylpyridin-3-yl)oxy]methyl}benzoic acid |
| IUPAC Name | 3-[(6-methylpyridin-3-yl)oxymethyl]benzoic acid |
| InChI | InChI=1S/C14H13NO3/c1-10-5-6-13(8-15-10)18-9-11-3-2-4-12(7-11)14(16)17/h2-8H,9H2,1H3,(H,16,17) |
| InChI Key | YUBDHBCHHWPSJE-UHFFFAOYSA-N |
| MDL Number | MFCD17154039 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | CC1=NC=C(OCC2=CC(C(O)=O)=CC=C2)C=C1 |
| Synonyms | 3-{[(6-methylpyridin-3-yl)oxy]methyl}benzoic acid,
1306607-09-9,
ZINC50211322,
AKOS011351451,
MCULE-1119215294,
NE20883,
EN300-77213,
Z1259339931,
|
| Complexity | 282 |
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number