Cas no 193010-71-8 (Dimethyl 2-(trifluoromethyl)butanedioate)
193010-71-8 structure
Product Name:Dimethyl 2-(trifluoromethyl)butanedioate
CAS No:193010-71-8
MF:C7H9F3O4
MW:214.139173269272
CID:2787949
Update Time:2023-08-07
Dimethyl 2-(trifluoromethyl)butanedioate Chemical and Physical Properties
Names and Identifiers
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- Dimethyl 2-(trifluoromethyl)butanedioate
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- Inchi： 1S/C7H9F3O4/c1-13-5(11)3-4(6(12)14-2)7(8,9)10/h4H,3H2,1-2H3
- InChI Key： MHOZZUZBGJYOSM-UHFFFAOYSA-N
- SMILES： FC(C(C(=O)OC)CC(=O)OC)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 224
- XLogP3: 1
- Topological Polar Surface Area: 52.6
Dimethyl 2-(trifluoromethyl)butanedioate Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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