| CAS Number | 858784-00-6 |
| Catalog Number | AG00IDSX(AGN-PC-0WR4LN) |
| Chemical Name | 4,4,6,8-Tetramethyl-3,4-dihydroquinolin-2(1H)-one |
| IUPAC Name | 4,4,6,8-tetramethyl-1,3-dihydroquinolin-2-one |
| InChI | InChI=1S/C13H17NO/c1-8-5-9(2)12-10(6-8)13(3,4)7-11(15)14-12/h5-6H,7H2,1-4H3,(H,14,15) |
| InChI Key | YXYGYFZXSBVWNM-UHFFFAOYSA-N |
| MDL Number | MFCD24567399 |
| Molecular Formula | C13H17NO |
| Molecular Weight | 203.2802 |
| SMILES | O=C1Nc2c(C)cc(cc2C(C1)(C)C)C |
| Synonyms | 4,4,6,8-Tetramethyl-3,4-dihydroquinolin-2(1H)-one,
858784-00-6,
ZINC169725195,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.285g/mol |
| Monoisotopic Mass | 203.131g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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