| CAS Number | 1256643-38-5 |
| Catalog Number | AG009DTZ(AGN-PC-0WB5YP) |
| Chemical Name | 4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 9-hydroxy-4-oxo- |
| IUPAC Name | 9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid |
| InChI | InChI=1S/C9H6N2O4/c12-6-2-1-3-11-7(6)10-4-5(8(11)13)9(14)15/h1-4,12H,(H,14,15) |
| InChI Key | LYFDMKUCZBAGTG-UHFFFAOYSA-N |
| MDL Number | MFCD00133512 |
| Molecular Formula | C9H6N2O4 |
| Molecular Weight | 206.1549 |
| SMILES | N12C=CC=C(O)C1=NC=C(C(O)=O)C2=O |
| Synonyms | 1256643-38-5,
9-Hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid,
SCHEMBL13313510,
ZX-CM009684,
MFCD18381939,
STL418144,
ZINC54957050,
AKOS022185351,
AJ-112457,
Y-7905,
9-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid(SALTDATA,
LYFDMKUCZBAGTG-UHFFFAOYSA-N,
9-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylic acid,
|
| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.157g/mol |
| Monoisotopic Mass | 206.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 90.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number