| CAS Number | 74386-55-3 |
| Catalog Number | AG005C1H(AGN-PC-01V8PH) |
| Chemical Name | 5-(Benzyloxy)pyridine-2-carboxylic acid |
| IUPAC Name | 5-phenylmethoxypyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H11NO3/c15-13(16)12-7-6-11(8-14-12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16) |
| InChI Key | FQSOASDQLNSXJQ-UHFFFAOYSA-N |
| MDL Number | MFCD23346160 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | OC(C1=NC=C(OCC2=CC=CC=C2)C=C1)=O |
| Synonyms | 5-(benzyloxy)pyridine-2-carboxylic acid,
74386-55-3,
2-Pyridinecarboxylic acid, 5-(phenylmethoxy)-,
CHEMBL166172,
5-Benzyloxypyridine-2-carboxylic acid,
5-(benzyloxy)picolinic acid,
SCHEMBL227231,
CTK2H0231,
DTXSID00593285,
FQSOASDQLNSXJQ-UHFFFAOYSA-N,
BDBM50000431,
ZINC13450967,
AKOS018352470,
5-Benzyloxy-pyridine-2-carboxylic acid,
FT-0753976,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 4 |
| 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
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Certificate of Analysis
Lot Number