Cas no 62935-37-9 (Propanedioic acid, (trifluoromethyl)-, ethyl propyl ester)
62935-37-9 structure
Product Name:Propanedioic acid, (trifluoromethyl)-, ethyl propyl ester
CAS No:62935-37-9
MF:C9H13F3O4
MW:242.192333936691
CID:428624
PubChem ID:71381789
Update Time:2025-04-19
Propanedioic acid, (trifluoromethyl)-, ethyl propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (trifluoromethyl)-, ethyl propyl ester
- 1-O-ethyl 3-O-propyl 2-(trifluoromethyl)propanedioate
- DTXSID50804212
- 62935-37-9
- Ethyl propyl (trifluoromethyl)propanedioate
-
- Inchi： 1S/C9H13F3O4/c1-3-5-16-8(14)6(9(10,11)12)7(13)15-4-2/h6H,3-5H2,1-2H3
- InChI Key： YMVHJBGRGLSPOQ-UHFFFAOYSA-N
- SMILES： FC(C(C(=O)OCC)C(=O)OCCC)(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: 7
- Complexity: 250
- 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 propyl ester Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
62935-37-9 (Propanedioic acid, (trifluoromethyl)-, ethyl propyl ester) Related Products
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