Cas no 62838-68-0 (1,3-Propanedione, 1-(2-ethoxy-3-pyridinyl)-3-(3-pyridinyl)-)
62838-68-0 structure
Product Name:1,3-Propanedione, 1-(2-ethoxy-3-pyridinyl)-3-(3-pyridinyl)-
CAS No:62838-68-0
MF:C15H14N2O3
MW:270.283263683319
CID:430109
PubChem ID:12326834
Update Time:2025-04-19
1,3-Propanedione, 1-(2-ethoxy-3-pyridinyl)-3-(3-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanedione, 1-(2-ethoxy-3-pyridinyl)-3-(3-pyridinyl)-
- 1-(2-ethoxypyridin-3-yl)-3-pyridin-3-ylpropane-1,3-dione
- DTXSID10489726
- 1-(2-Ethoxypyridin-3-yl)-3-(pyridin-3-yl)propane-1,3-dione
- 62838-68-0
-
- Inchi： 1S/C15H14N2O3/c1-2-20-15-12(6-4-8-17-15)14(19)9-13(18)11-5-3-7-16-10-11/h3-8,10H,2,9H2,1H3
- InChI Key： UNKICORZMUCJFA-UHFFFAOYSA-N
- SMILES： O(CC)C1C(=CC=CN=1)C(CC(C1C=NC=CC=1)=O)=O
Computed Properties
- Exact Mass: 270.10052
- Monoisotopic Mass: 270.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 346
- 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: 1.6
- Topological Polar Surface Area: 69.2?2
Experimental Properties
- PSA: 69.15
1,3-Propanedione, 1-(2-ethoxy-3-pyridinyl)-3-(3-pyridinyl)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
62838-68-0 (1,3-Propanedione, 1-(2-ethoxy-3-pyridinyl)-3-(3-pyridinyl)-) Related Products
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