| CAS Number | 1181458-42-3 |
| Catalog Number | AG019VAQ |
| Chemical Name | 6-(4-phenoxyphenoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 6-(4-phenoxyphenoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C18H13NO4/c20-18(21)13-6-11-17(19-12-13)23-16-9-7-15(8-10-16)22-14-4-2-1-3-5-14/h1-12H,(H,20,21) |
| InChI Key | STNPNMLROBHPNY-UHFFFAOYSA-N |
| MDL Number | MFCD12197101 |
| Molecular Formula | C18H13NO4 |
| Molecular Weight | 307.3001 |
| SMILES | OC(C1=CN=C(OC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1)=O |
| Synonyms | 6-(4-phenoxyphenoxy)pyridine-3-carboxylic acid,
1181458-42-3,
AC1Q73YW,
CTK7I8216,
ZINC36378526,
AKOS008096026,
MCULE-9343616728,
NE31205,
EN300-44264,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.305g/mol |
| Monoisotopic Mass | 307.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number