Cas no 63009-25-6 (2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, ethyl ester)
63009-25-6 structure
Product Name:2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, ethyl ester
CAS No:63009-25-6
MF:C6H5F3O3
MW:182.097312688828
CID:427762
PubChem ID:12504218
Update Time:2025-04-19
2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, ethyl ester
- ethyl 3-oxo-2-(trifluoromethyl)prop-2-enoate
- ethoxycarbonyl(trifluoromethyl)ketene
- 63009-25-6
- DTXSID60500652
-
- Inchi： 1S/C6H5F3O3/c1-2-12-5(11)4(3-10)6(7,8)9/h2H2,1H3
- InChI Key： FSCHDJOSYBHVQB-UHFFFAOYSA-N
- SMILES： FC(C(=C=O)C(=O)OCC)(F)F
Computed Properties
- Exact Mass: 182.01905
- Monoisotopic Mass: 182.01907850g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 225
- 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: 43.4?2
Experimental Properties
- PSA: 43.37
2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, ethyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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