| CAS Number | 2137886-64-5 |
| Catalog Number | AG01EJUX |
| Chemical Name | 5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid hydrochloride |
| IUPAC Name | 5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H9NO3.ClH/c12-9-3-1-2-8-7(9)4-6(5-11-8)10(13)14;/h4-5H,1-3H2,(H,13,14);1H |
| InChI Key | WXPLKMHKPXLQFJ-UHFFFAOYSA-N |
| MDL Number | MFCD31558670 |
| Molecular Formula | C10H10ClNO3 |
| Molecular Weight | 227.6443 |
| SMILES | Cl.OC(C1=CC2=C(CCCC2=O)N=C1)=O |
| Synonyms | 5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid hydrochloride,
2137886-64-5,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.644g/mol |
| Monoisotopic Mass | 227.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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