Cas no 63856-02-0 (2-Propen-1-one, 1-(4-methoxyphenyl)-3-(3-pyridinyl)-)
63856-02-0 structure
Product Name:2-Propen-1-one, 1-(4-methoxyphenyl)-3-(3-pyridinyl)-
CAS No:63856-02-0
MF:C15H13NO2
MW:239.269223928452
CID:425567
PubChem ID:493384
Update Time:2025-04-19
2-Propen-1-one, 1-(4-methoxyphenyl)-3-(3-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propen-1-one, 1-(4-methoxyphenyl)-3-(3-pyridinyl)-
- 1-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
- CBDivE_000529
- DTXSID80333242
- AKOS034380518
- 63856-02-0
-
- Inchi： 1S/C15H13NO2/c1-18-14-7-5-13(6-8-14)15(17)9-4-12-3-2-10-16-11-12/h2-11H,1H3
- InChI Key： WPXOTBIFJKUITB-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C(C=CC2C=NC=CC=2)=O)=CC=1
Computed Properties
- Exact Mass: 239.09469
- Monoisotopic Mass: 239.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 293
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.6
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19
2-Propen-1-one, 1-(4-methoxyphenyl)-3-(3-pyridinyl)- Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
63856-02-0 (2-Propen-1-one, 1-(4-methoxyphenyl)-3-(3-pyridinyl)-) Related Products
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