| CAS Number | 159682-27-6 |
| Catalog Number | AG01C0JE |
| Chemical Name | 1-(4-Hydroxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one |
| IUPAC Name | 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone |
| InChI | InChI=1S/C11H13NO2/c1-8(13)12-7-6-11(14)9-4-2-3-5-10(9)12/h2-5,11,14H,6-7H2,1H3 |
| InChI Key | ZHDFKTDSAJVNNR-UHFFFAOYSA-N |
| MDL Number | MFCD20318879 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | CC(N1CCC(O)C2=C1C=CC=C2)=O |
| Synonyms | 1-(4-hydroxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one,
159682-27-6,
AKOS013635014,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number