Cas no 53761-46-9 (1,4,7-trimethylquinolin-2-one)
1,4,7-trimethylquinolin-2-one structure
Product Name:1,4,7-trimethylquinolin-2-one
CAS No:53761-46-9
MF:C12H13NO
MW:187.237723112106
CID:939084
PubChem ID:268276
Update Time:2025-04-19
1,4,7-trimethylquinolin-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7-trimethylquinolin-2-one
- 1,4,7-Trimethyl-1H-chinolin-2-on
- 1,4,7-trimethyl-1H-quinolin-2-one
- 1,4,7-trimethylquinolin-2(1h)-one
- AC1L6JXA
- AC1Q6I13
- AG-J-25561
- AR-1B7389
- CTK4J8727
- KST-1B5050
- NSC108433
- DTXSID70296236
- NSC-108433
- 53761-46-9
- DS-008386
-
- Inchi： 1S/C12H13NO/c1-8-4-5-10-9(2)7-12(14)13(3)11(10)6-8/h4-7H,1-3H3
- InChI Key： FJPPBPYZSPMGAA-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)C2C=CC(C)=CC=2N1C
Computed Properties
- Exact Mass: 187.09979
- Monoisotopic Mass: 187.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 282
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
- LogP: 2.15530
1,4,7-trimethylquinolin-2-one Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
53761-46-9 (1,4,7-trimethylquinolin-2-one) Related Products
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- 2584-47-6(1,4-Dimethylquinolin-2(1H)-one)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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