| CAS Number | 1281690-83-2 |
| Catalog Number | AG01AHGI |
| Chemical Name | 3-([Hydroxy(3-oxo-2,3-dihydropyridin-2-ylidene)methyl]amino)propanoic acid hydrochloride |
| IUPAC Name | 3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid;hydrochloride |
| InChI | InChI=1S/C9H10N2O4.ClH/c12-6-2-1-4-10-8(6)9(15)11-5-3-7(13)14;/h1-2,4,12H,3,5H2,(H,11,15)(H,13,14);1H |
| InChI Key | QSBGUKCYTMMYGU-UHFFFAOYSA-N |
| MDL Number | MFCD26143856 |
| Molecular Formula | C9H11ClN2O4 |
| Molecular Weight | 246.6476 |
| SMILES | Cl.OC(CCNC(O)=C1C(=O)C=CC=N1)=O |
| Synonyms | 3-{[hydroxy(3-oxo-2,3-dihydropyridin-2-ylidene)methyl]amino}propanoic acid hydrochloride,
1281690-83-2,
MCULE-9788687626,
NE31723,
EN300-74682,
Z1171508742,
3-[(3-hydroxypyridin-2-yl)formamido]propanoic acid hydrochloride,
3-{[(3-hydroxypyridin-2-yl)carbonyl]amino}propanoic acid hydrochloride,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.647g/mol |
| Monoisotopic Mass | 246.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 99.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number