| CAS Number | 1258625-79-4 |
| Catalog Number | AG00HINB(AGN-PC-0WR64L) |
| Chemical Name | 4-(3-Benzyloxyphenyl)picolinic acid |
| IUPAC Name | 4-(3-phenylmethoxyphenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C19H15NO3/c21-19(22)18-12-16(9-10-20-18)15-7-4-8-17(11-15)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,22) |
| InChI Key | DSJADIBOYBIDHE-UHFFFAOYSA-N |
| MDL Number | MFCD18085915 |
| Molecular Formula | C19H15NO3 |
| Molecular Weight | 305.3273 |
| SMILES | OC(=O)c1nccc(c1)c1cccc(c1)OCc1ccccc1 |
| Synonyms | 4-(3-Benzyloxyphenyl)picolinic acid,
1258625-79-4,
4-(3-(Benzyloxy)phenyl)picolinic acid,
MFCD18085915,
ZINC65349138,
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| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.333g/mol |
| Monoisotopic Mass | 305.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number