| CAS Number | 1480111-47-4 |
| Catalog Number | AG01EKJF |
| Chemical Name | 4-[2-(pyridin-3-yl)acetamido]benzoic acid |
| IUPAC Name | 4-[(2-pyridin-3-ylacetyl)amino]benzoic acid |
| InChI | InChI=1S/C14H12N2O3/c17-13(8-10-2-1-7-15-9-10)16-12-5-3-11(4-6-12)14(18)19/h1-7,9H,8H2,(H,16,17)(H,18,19) |
| InChI Key | FNRZGSHYACCXHY-UHFFFAOYSA-N |
| MDL Number | MFCD17519652 |
| Molecular Formula | C14H12N2O3 |
| Molecular Weight | 256.2567 |
| SMILES | OC(C1=CC=C(NC(CC2=CN=CC=C2)=O)C=C1)=O |
| Synonyms | ZINC54289644,
AKOS011985929,
4-[2-(pyridin-3-yl)acetamido]benzoic acid,
1480111-47-4,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.261g/mol |
| Monoisotopic Mass | 256.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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