| CAS Number | 99970-10-2 |
| Catalog Number | AG019T94 |
| Chemical Name | 4-Phenoxypyridine-2-carboxylic acid |
| IUPAC Name | 4-phenoxypyridine-2-carboxylic acid |
| InChI | InChI=1S/C12H9NO3/c14-12(15)11-8-10(6-7-13-11)16-9-4-2-1-3-5-9/h1-8H,(H,14,15) |
| InChI Key | WITPTLOQYHPGNA-UHFFFAOYSA-N |
| MDL Number | MFCD11181387 |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2048 |
| SMILES | C1=CC=C(C=C1)OC2=CC(=NC=C2)C(=O)O |
| Synonyms | 4-phenoxypyridine-2-carboxylic acid,
99970-10-2,
4-phenoxy-pyridine-2-carboxylic acid,
MFCD11181387,
ZINC36896277,
AKOS009309478,
MCULE-5635588117,
NE29883,
BS-14067,
A1-11979,
Z1295543898,
|
| 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