Cas no 400-33-9 (2-Pentanone,1,1,1-trifluoro-4-hydroxy-)
400-33-9 structure
Product Name:2-Pentanone,1,1,1-trifluoro-4-hydroxy-
CAS No:400-33-9
MF:C5H7F3O2
MW:156.103092432022
CID:324807
Update Time:2024-01-28
2-Pentanone,1,1,1-trifluoro-4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone,1,1,1-trifluoro-4-hydroxy-
- 2-Pentanone, 1,1,1-trifluoro-4-hydroxy-
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- Inchi： 1S/C5H7F3O2/c1-3(9)2-4(10)5(6,7)8/h3,9H,2H2,1H3
- InChI Key： QMWQXHSXRNEPIG-UHFFFAOYSA-N
- SMILES： C(F)(F)(F)C(=O)CC(O)C
Computed Properties
- Exact Mass: 156.03981
- Monoisotopic Mass: 156.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 129
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- PSA: 37.3
2-Pentanone,1,1,1-trifluoro-4-hydroxy- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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2. Agricultural
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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