| CAS Number | 1480223-23-1 |
| Catalog Number | AG01DVCT |
| Chemical Name | 1-(2-hydroxypropyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H11NO4/c1-6(11)4-10-5-7(9(13)14)2-3-8(10)12/h2-3,5-6,11H,4H2,1H3,(H,13,14) |
| InChI Key | NXTWZQLWZRBDHA-UHFFFAOYSA-N |
| MDL Number | MFCD21186887 |
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.1879 |
| SMILES | CC(CN1C(=O)C=CC(C(O)=O)=C1)O |
| Synonyms | 1-(2-hydroxypropyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
1480223-23-1,
SCHEMBL4922930,
AKOS014612589,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.19g/mol |
| Monoisotopic Mass | 197.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number