Cas no 557796-15-3 (Methyl 6,6,6-trifluoro-3,5-dioxohexanoate)
557796-15-3 structure
Product Name:Methyl 6,6,6-trifluoro-3,5-dioxohexanoate
CAS No:557796-15-3
MF:C7H7F3O4
MW:212.123293161392
CID:1595520
PubChem ID:10192666
Update Time:2025-04-21
Methyl 6,6,6-trifluoro-3,5-dioxohexanoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 6,6,6-trifluoro-3,5-dioxohexanoate
- SCHEMBL3677579
- 557796-15-3
- DTXSID10436538
-
- Inchi： 1S/C7H7F3O4/c1-14-6(13)3-4(11)2-5(12)7(8,9)10/h2-3H2,1H3
- InChI Key： IAQSDUQWRAQRDH-UHFFFAOYSA-N
- SMILES： FC(C(CC(CC(=O)OC)=O)=O)(F)F
Computed Properties
- Exact Mass: 212.02964319g/mol
- Monoisotopic Mass: 212.02964319g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 256
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 60.4?2
Methyl 6,6,6-trifluoro-3,5-dioxohexanoate Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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