| CAS Number | 133999-05-0 |
| Catalog Number | AG009WRR(AGN-PC-0WRABQ) |
| Chemical Name | 4,4,7-Trimethyl-1,3-dihydroquinolin-2-one |
| IUPAC Name | 4,4,7-trimethyl-1,3-dihydroquinolin-2-one |
| InChI | InChI=1S/C12H15NO/c1-8-4-5-9-10(6-8)13-11(14)7-12(9,2)3/h4-6H,7H2,1-3H3,(H,13,14) |
| InChI Key | MMYQZWWWDAQMDS-UHFFFAOYSA-N |
| MDL Number | MFCD26131173 |
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.2536 |
| SMILES | O=C1Nc2cc(C)ccc2C(C1)(C)C |
| Synonyms | 4,4,7-trimethyl-1,3-dihydroquinolin-2-one,
133999-05-0,
4,4,7-Trimethyl-3,4-dihydroquinolin-2(1H)-one,
SCHEMBL11988473,
ZINC34448838,
CJ-18375,
Z9738,
K-4217,
C12H15NO,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.258g/mol |
| Monoisotopic Mass | 189.115g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number