| CAS Number | 36053-94-8 |
| Catalog Number | AG01B7YT(AGN-PC-040G87) |
| Chemical Name | 8-Methyl-1,2,3,4-tetrahydroquinolin-4-one |
| IUPAC Name | 8-methyl-2,3-dihydro-1H-quinolin-4-one |
| InChI | InChI=1S/C10H11NO/c1-7-3-2-4-8-9(12)5-6-11-10(7)8/h2-4,11H,5-6H2,1H3 |
| InChI Key | VZLHOBQCHKAIOM-UHFFFAOYSA-N |
| MDL Number | MFCD09054821 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2004 |
| SMILES | CC1=CC=CC2=C1NCCC2=O |
| Synonyms | 8-methyl-1,2,3,4-tetrahydroquinolin-4-one,
36053-94-8,
8-methyl-2,3-dihydroquinolin-4(1H)-one,
SCHEMBL10912977,
ZINC40449067,
AKOS006329857,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.204g/mol |
| Monoisotopic Mass | 161.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number