| CAS Number | 103877-89-0 |
| Catalog Number | AG01B8B1(AGN-PC-00O1GY) |
| Chemical Name | 3-Phenoxypyridine-2-carboxylic acid |
| IUPAC Name | 3-phenoxypyridine-2-carboxylic acid |
| InChI | InChI=1S/C12H9NO3/c14-12(15)11-10(7-4-8-13-11)16-9-5-2-1-3-6-9/h1-8H,(H,14,15) |
| InChI Key | IBQCJIMAXSKLKT-UHFFFAOYSA-N |
| MDL Number | MFCD13178194 |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2048 |
| SMILES | OC(C1=C(OC2=CC=CC=C2)C=CC=N1)=O |
| Synonyms | 3-phenoxypyridine-2-carboxylic acid,
103877-89-0,
2-pyridinecarboxylic acid,3-phenoxy-,
SCHEMBL7052917,
ZINC34157130,
AKOS017560570,
2-Pyridinecarboxylic acid, 3-phenoxy-,
Z1992316382,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.208g/mol |
| Monoisotopic Mass | 215.058g/mol |
| Rotatable Bond Count | 3 |
| 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