| CAS Number | 5322-05-4 |
| Catalog Number | AG01C97S(AGN-PC-0SENC4) |
| Chemical Name | 2-(2-Oxo-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid |
| IUPAC Name | 2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid |
| InChI | InChI=1S/C11H11NO3/c13-10-5-7(6-11(14)15)8-3-1-2-4-9(8)12-10/h1-4,7H,5-6H2,(H,12,13)(H,14,15) |
| InChI Key | NNHOCNIVPRRFFB-UHFFFAOYSA-N |
| MDL Number | MFCD19370242 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | OC(CC1C2=C(C=CC=C2)NC(=O)C1)=O |
| Synonyms | 2-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid,
5322-05-4,
SCHEMBL9766028,
AKOS016371099,
MCULE-7458524432,
NS-02173,
4-Quinolineacetic acid,1,2,3,4-tetrahydro-2-oxo-,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number