| CAS Number | 64483-55-2 |
| Catalog Number | AG01AC5N(AGN-PC-0TCP79) |
| Chemical Name | 4-Oxo-4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)butanoic acid |
| IUPAC Name | 4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid |
| InChI | InChI=1S/C13H13NO4/c15-11(4-6-13(17)18)9-1-3-10-8(7-9)2-5-12(16)14-10/h1,3,7H,2,4-6H2,(H,14,16)(H,17,18) |
| InChI Key | ANWAKYZBSMSPFC-UHFFFAOYSA-N |
| MDL Number | MFCD09811764 |
| Molecular Formula | C13H13NO4 |
| Molecular Weight | 247.2466 |
| SMILES | OC(CCC(C1=CC2=C(NC(CC2)=O)C=C1)=O)=O |
| Synonyms | 4-OXO-4-(2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)BUTANOIC ACID,
64483-55-2,
CTK7J2712,
ZINC19391435,
AKOS000159115,
MCULE-3162506770,
NE24387,
Z1704732707,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.25g/mol |
| Monoisotopic Mass | 247.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number