Cas no 62935-39-1 (Propanedioic acid, (trifluoromethyl)-, butyl ethyl ester)
62935-39-1 structure
Product Name:Propanedioic acid, (trifluoromethyl)-, butyl ethyl ester
CAS No:62935-39-1
MF:C10H15F3O4
MW:256.218914270401
CID:428622
PubChem ID:71381787
Update Time:2025-04-19
Propanedioic acid, (trifluoromethyl)-, butyl ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (trifluoromethyl)-, butyl ethyl ester
- 1-O-butyl 3-O-ethyl 2-(trifluoromethyl)propanedioate
- 62935-39-1
- DTXSID30804210
- Butyl ethyl (trifluoromethyl)propanedioate
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- Inchi： 1S/C10H15F3O4/c1-3-5-6-17-9(15)7(10(11,12)13)8(14)16-4-2/h7H,3-6H2,1-2H3
- InChI Key： ADFJGXNGNFRDSN-UHFFFAOYSA-N
- SMILES： FC(C(C(=O)OCC)C(=O)OCCCC)(F)F
Computed Properties
- Exact Mass: 256.09225
- Monoisotopic Mass: 256.09224344g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 263
- 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: 2.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, (trifluoromethyl)-, butyl ethyl ester Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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