Cas no 671-82-9 (4,4,4-Trifluoro-3-methyl-2-butenoic acid methyl ester)
671-82-9 structure
Product Name:4,4,4-Trifluoro-3-methyl-2-butenoic acid methyl ester
CAS No:671-82-9
MF:C6H7F3O2
MW:168.113792657852
CID:4715913
Update Time:2023-08-16
4,4,4-Trifluoro-3-methyl-2-butenoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
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- 4,4,4-Trifluoro-3-methyl-2-butenoic acid methyl ester
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- Inchi： 1S/C6H7F3O2/c1-4(6(7,8)9)3-5(10)11-2/h3H,1-2H3/b4-3+
- InChI Key： QACWQWDBZADUIC-ONEGZZNKSA-N
- SMILES： FC(/C(=C/C(=O)OC)/C)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 181
- Topological Polar Surface Area: 26.3
4,4,4-Trifluoro-3-methyl-2-butenoic acid methyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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