| CAS Number | 1261991-96-1 |
| Catalog Number | AG000SBL(AGN-PC-0WAARK) |
| Chemical Name | 5-(4-Benzyloxyphenyl)picolinic acid |
| IUPAC Name | 5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C19H15NO3/c21-19(22)18-11-8-16(12-20-18)15-6-9-17(10-7-15)23-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,21,22) |
| InChI Key | DUDIMPDURYAYJG-UHFFFAOYSA-N |
| MDL Number | MFCD18318605 |
| Molecular Formula | C19H15NO3 |
| Molecular Weight | 305.3273 |
| SMILES | OC(=O)c1ccc(cn1)c1ccc(cc1)OCc1ccccc1 |
| Synonyms | 5-(4-Benzyloxyphenyl)picolinic acid,
1261991-96-1,
ACMC-209b9z,
CTK8A9887,
DTXSID90688437,
ANW-18885,
MFCD18318605,
ZINC65349155,
TC-107630,
Z9286,
5-[4-(Benzyloxy)phenyl]pyridine-2-carboxylic acid,
2-Pyridinecarboxylic acid, 5-[4-(phenylmethoxy)phenyl]-,
C19H15NO3,
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| Complexity | 373 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number