| CAS Number | 1041605-13-3 |
| Catalog Number | AG01DUXU |
| Chemical Name | 1-(2-Hydroxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-(2-hydroxyethyl)-6-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H9NO4/c10-4-3-9-5-6(8(12)13)1-2-7(9)11/h1-2,5,10H,3-4H2,(H,12,13) |
| InChI Key | ZSJTUWFIMLIJIB-UHFFFAOYSA-N |
| MDL Number | MFCD11122312 |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.1614 |
| SMILES | OCCN1C(=O)C=CC(C(O)=O)=C1 |
| Synonyms | 1041605-13-3,
1-(2-hydroxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
SCHEMBL4251833,
ZINC21508516,
AKOS009224737,
DA-16012,
FT-0739662,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.163g/mol |
| Monoisotopic Mass | 183.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
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Certificate of Analysis
Lot Number