Cas no 827319-25-5 (2-Propyn-1-one, 3-(4-acetylphenyl)-1-phenyl-)
827319-25-5 structure
Product Name:2-Propyn-1-one, 3-(4-acetylphenyl)-1-phenyl-
CAS No:827319-25-5
MF:C17H12O2
MW:248.275984764099
CID:684897
PubChem ID:11149317
Update Time:2025-04-19
2-Propyn-1-one, 3-(4-acetylphenyl)-1-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 2-Propyn-1-one, 3-(4-acetylphenyl)-1-phenyl-
- 3-(4-acetylphenyl)-1-phenylprop-2-yn-1-one
- DTXSID60456983
- 827319-25-5
-
- Inchi： 1S/C17H12O2/c1-13(18)15-10-7-14(8-11-15)9-12-17(19)16-5-3-2-4-6-16/h2-8,10-11H,1H3
- InChI Key： AZGOEGQSWNRLAC-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=CC(C#CC(C2C=CC=CC=2)=O)=CC=1
Computed Properties
- Exact Mass: 248.083729621g/mol
- Monoisotopic Mass: 248.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 396
- 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: 3.5
- Topological Polar Surface Area: 34.1?2
2-Propyn-1-one, 3-(4-acetylphenyl)-1-phenyl- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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