| CAS Number | 850240-51-6 |
| Catalog Number | AG00IDIK(AGN-PC-0I5NEZ) |
| Chemical Name | 2-Propoxynicotinamide |
| IUPAC Name | 2-propoxypyridine-3-carboxamide |
| InChI | InChI=1S/C9H12N2O2/c1-2-6-13-9-7(8(10)12)4-3-5-11-9/h3-5H,2,6H2,1H3,(H2,10,12) |
| InChI Key | NXQJBRLUNCIHHF-UHFFFAOYSA-N |
| MDL Number | MFCD28369585 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | CCCOc1ncccc1C(=O)N |
| Synonyms | 2-Propoxynicotinamide,
850240-51-6,
SCHEMBL3729269,
3-Pyridinecarboxamide, 2-propoxy-,
ZINC204511878,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number