Cas no 17475-11-5 (4,4-Dimethyl-1-phenylpent-2-yn-1-one)
17475-11-5 structure
Product Name:4,4-Dimethyl-1-phenylpent-2-yn-1-one
CAS No:17475-11-5
MF:C13H14O
MW:186.249663829803
CID:906193
PubChem ID:11480889
Update Time:2025-04-19
4,4-Dimethyl-1-phenylpent-2-yn-1-one Chemical and Physical Properties
Names and Identifiers
-
- 4,4-Dimethyl-1-phenylpent-2-yn-1-one
- 4,4-dimethyl-1-phenyl-pent-2-yn-1-one
- DTXSID00467210
- AKOS006330945
- SCHEMBL24345105
- 17475-11-5
-
- Inchi： 1S/C13H14O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h4-8H,1-3H3
- InChI Key： JKMPVFBNTHUBPK-UHFFFAOYSA-N
- SMILES： O=C(C#CC(C)(C)C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 186.10452
- Monoisotopic Mass: 186.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 263
- 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: 3.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
4,4-Dimethyl-1-phenylpent-2-yn-1-one 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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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
17475-11-5 (4,4-Dimethyl-1-phenylpent-2-yn-1-one) Related Products
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