Cas no 691-77-0 (2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (E)-)
691-77-0 structure
Product Name:2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (E)-
CAS No:691-77-0
MF:C7H9F3O2
MW:182.140372991562
CID:392097
PubChem ID:5838607
Update Time:2025-04-19
2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (E)-
- AS-70035
- MFCD00040846
- ethyl 4,4,4-trifluoro-3-methylbut-2-enoate
- SCHEMBL1017537
- NSC-379425
- AKOS037646649
- ethyl (E)-4,4,4-trifluoro-3-methylbut-2-enoate
- Ethyl 3-(trifluoromethyl)crotonate
- Ethyl 3-(trifluoromethyl)crotonate, cis + trans
- 24490-03-7
- (E)-ethyl 4,4,4-trifluoro-3-methylbut-2-enoate
- ethyl (E)-4, 4, 4-trifluoro-3-methylbut-2-enoate
- OSZLARYVWBUKTG-SNAWJCMRSA-N
- ETHYL3-(TRIFLUOROMETHYL)CROTONATE
- AKOS005254479
- 2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester
- 691-77-0
- NSC379425
-
- MDL： MFCD00040846
- Inchi： 1S/C7H9F3O2/c1-3-12-6(11)4-5(2)7(8,9)10/h4H,3H2,1-2H3/b5-4+
- InChI Key： OSZLARYVWBUKTG-SNAWJCMRSA-N
- SMILES： FC(/C(/C)=C/C(=O)OCC)(F)F
Computed Properties
- Exact Mass: 182.05546401g/mol
- Monoisotopic Mass: 182.05546401g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 26.3?2
2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (E)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-378361-1.0g |
ethyl (2E)-4,4,4-trifluoro-3-methylbut-2-enoate |
691-77-0 | 1.0g |
$0.0 | 2023-03-02 |
2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (E)- Related Literature
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
691-77-0 (2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (E)-) Related Products
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