| CAS Number | 1508584-57-3 |
| Catalog Number | AG01C2GD |
| Chemical Name | 5-(3-methylphenoxy)pyridine-2-carboxylic acid |
| IUPAC Name | 5-(3-methylphenoxy)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H11NO3/c1-9-3-2-4-10(7-9)17-11-5-6-12(13(15)16)14-8-11/h2-8H,1H3,(H,15,16) |
| InChI Key | ZRQXMHPBSDUCER-UHFFFAOYSA-N |
| MDL Number | MFCD30378923 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | CC1=CC(OC2=CN=C(C(O)=O)C=C2)=CC=C1 |
| Synonyms | 5-(3-methylphenoxy)pyridine-2-carboxylic acid,
1508584-57-3,
ZINC84019113,
AKOS023372046,
Z1680796732,
|
| Complexity | 269 |
| 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 |
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Certificate of Analysis
Lot Number