Cas no 128101-68-8 (4-Ethyl 1-methyl 2-(trifluoromethyl)but-2-enedioate)
128101-68-8 structure
Product Name:4-Ethyl 1-methyl 2-(trifluoromethyl)but-2-enedioate
CAS No:128101-68-8
MF:C8H9F3O4
MW:226.149873495102
CID:2769482
PubChem ID:71340578
Update Time:2025-04-21
4-Ethyl 1-methyl 2-(trifluoromethyl)but-2-enedioate Chemical and Physical Properties
Names and Identifiers
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- 4-Ethyl 1-methyl 2-(trifluoromethyl)but-2-enedioate
- DTXSID50767737
- 128101-68-8
-
- Inchi： 1S/C8H9F3O4/c1-3-15-6(12)4-5(7(13)14-2)8(9,10)11/h4H,3H2,1-2H3
- InChI Key： SPGCMHRZACAZOY-UHFFFAOYSA-N
- SMILES： FC(C(C(=O)OC)=CC(=O)OCC)(F)F
Computed Properties
- Exact Mass: 226.04529325Da
- Monoisotopic Mass: 226.04529325Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.5
- Topological Polar Surface Area: 52.6?2
4-Ethyl 1-methyl 2-(trifluoromethyl)but-2-enedioate Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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