Cas no 62935-38-0 (Propanedioic acid, (trifluoromethyl)-, ethyl 1-methylethyl ester)
62935-38-0 structure
Product Name:Propanedioic acid, (trifluoromethyl)-, ethyl 1-methylethyl ester
CAS No:62935-38-0
MF:C9H13F3O4
MW:242.192333936691
CID:428623
PubChem ID:71381788
Update Time:2025-04-19
Propanedioic acid, (trifluoromethyl)-, ethyl 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Propanedioic acid, (trifluoromethyl)-, ethyl 1-methylethyl ester
- 1-O-ethyl 3-O-propan-2-yl 2-(trifluoromethyl)propanedioate
- Ethyl propan-2-yl (trifluoromethyl)propanedioate
- DTXSID90804211
- 62935-38-0
-
- Inchi： 1S/C9H13F3O4/c1-4-15-7(13)6(9(10,11)12)8(14)16-5(2)3/h5-6H,4H2,1-3H3
- InChI Key： CVUUTBKQINWFGF-UHFFFAOYSA-N
- SMILES： FC(C(C(=O)OCC)C(=O)OC(C)C)(F)F
Computed Properties
- Exact Mass: 242.07659
- Monoisotopic Mass: 242.07659338g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 260
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, (trifluoromethyl)-, ethyl 1-methylethyl ester Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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