| CAS Number | 100727-49-9 |
| Catalog Number | AG0002Q8(AGN-PC-02RUOL) |
| Chemical Name | 2-Pyridinecarboxylic acid, 4-(phenylmethoxy)- |
| IUPAC Name | 4-phenylmethoxypyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H11NO3/c15-13(16)12-8-11(6-7-14-12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16) |
| InChI Key | MKVBGJYWNVWGHX-UHFFFAOYSA-N |
| MDL Number | MFCD11181375 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | C(C1=CC=CC=C1)OC1=CC(=NC=C1)C(=O)O |
| Synonyms | 4-(benzyloxy)pyridine-2-carboxylic acid,
100727-49-9,
2-Pyridinecarboxylic acid, 4-(phenylmethoxy)-,
ACMC-20m3sv,
2-pyridinecarboxylic acid,4-(phenylmethoxy)-,
4-(Benzyloxy)picolinic acid,
SCHEMBL11617562,
CTK0G8668,
DTXSID50605069,
ZINC36896260,
AKOS009311352,
MCULE-8346277835,
NE56381,
Z1281658009,
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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