Cas no 62935-34-6 (2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, 1-methylethyl ester)
62935-34-6 structure
Product Name:2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, 1-methylethyl ester
CAS No:62935-34-6
MF:C7H7F3O3
MW:196.123893022537
CID:428627
PubChem ID:71381792
Update Time:2025-04-19
2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, 1-methylethyl ester
- propan-2-yl 3-oxo-2-(trifluoromethyl)prop-2-enoate
- DTXSID30804215
- 62935-34-6
-
- Inchi： 1S/C7H7F3O3/c1-4(2)13-6(12)5(3-11)7(8,9)10/h4H,1-2H3
- InChI Key： CBNNJOONSKNCEL-UHFFFAOYSA-N
- SMILES： FC(C(=C=O)C(=O)OC(C)C)(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: 3
- Complexity: 248
- 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
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2-Propenoic acid, 3-oxo-2-(trifluoromethyl)-, 1-methylethyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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