Cas no 62935-33-5 (2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, propyl ester)
62935-33-5 structure
Product Name:2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, propyl ester
CAS No:62935-33-5
MF:C7H7F3O3
MW:196.123893022537
CID:428628
PubChem ID:71381793
Update Time:2025-04-19
2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, propyl ester
- propyl 3-oxo-2-(trifluoromethyl)prop-2-enoate
- 62935-33-5
- DTXSID90804216
-
- Inchi： 1S/C7H7F3O3/c1-2-3-13-6(12)5(4-11)7(8,9)10/h2-3H2,1H3
- InChI Key： CHBZUSCNAYXBAZ-UHFFFAOYSA-N
- SMILES： FC(C(=C=O)C(=O)OCCC)(F)F
Computed Properties
- Exact Mass: 196.03471
- Monoisotopic Mass: 196.03472857g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 238
- 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: 2.1
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, propyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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