Cas no 1260903-04-5 (2-Ethyl-4,4,4-trifluoro-3-hydroxybutanoic acid)
1260903-04-5 structure
Product Name:2-Ethyl-4,4,4-trifluoro-3-hydroxybutanoic acid
CAS No:1260903-04-5
MF:C6H9F3O3
MW:186.129072904587
CID:2101378
Update Time:2023-08-03
2-Ethyl-4,4,4-trifluoro-3-hydroxybutanoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-ethyl-4,4,4-trifluoro-3-hydroxybutanoic acid
- 2-Ethyl-4,4,4-trifluoro-3-hydroxybutanoic acid
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- Inchi： 1S/C6H9F3O3/c1-2-3(5(11)12)4(10)6(7,8)9/h3-4,10H,2H2,1H3,(H,11,12)
- InChI Key： DXEGAQLAECWJMO-UHFFFAOYSA-N
- SMILES： FC(C(C(C(=O)O)CC)O)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 166
- Topological Polar Surface Area: 57.5
2-Ethyl-4,4,4-trifluoro-3-hydroxybutanoic acid Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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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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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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