| CAS Number | 923219-64-1 |
| Catalog Number | AG01AR6M(AGN-PC-0WCNJS) |
| Chemical Name | 5-Hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid |
| IUPAC Name | 5-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H11NO4/c12-8-3-1-2-7-5(8)4-6(10(14)15)9(13)11-7/h4,8,12H,1-3H2,(H,11,13)(H,14,15) |
| InChI Key | VPVVRSVZMGAULY-UHFFFAOYSA-N |
| MDL Number | MFCD08692071 |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.1986 |
| SMILES | OC1C2=C(NC(C(C(O)=O)=C2)=O)CCC1 |
| Synonyms | 5-Hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid,
923219-64-1,
AKOS005208024,
MCULE-9590613888,
L-3766,
F2124-0295,
Z1509609013,
5-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.201g/mol |
| Monoisotopic Mass | 209.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number