Cas no 646522-80-7 (Methanesulfonic acid, trifluoro-, 2-(1-oxo-6-heptenyl)phenyl ester)
646522-80-7 structure
Product Name:Methanesulfonic acid, trifluoro-, 2-(1-oxo-6-heptenyl)phenyl ester
CAS No:646522-80-7
MF:C14H15F3O4S
MW:336.32671380043
CID:419656
PubChem ID:11382103
Update Time:2025-04-19
Methanesulfonic acid, trifluoro-, 2-(1-oxo-6-heptenyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
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- Methanesulfonic acid, trifluoro-, 2-(1-oxo-6-heptenyl)phenyl ester
- (2-hept-6-enoylphenyl) trifluoromethanesulfonate
- 646522-80-7
- DTXSID30464212
-
- Inchi： 1S/C14H15F3O4S/c1-2-3-4-5-9-12(18)11-8-6-7-10-13(11)21-22(19,20)14(15,16)17/h2,6-8,10H,1,3-5,9H2
- InChI Key： ABHVSVIXQAMFLY-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(=O)(=O)OC1C=CC=CC=1C(CCCCC=C)=O
Computed Properties
- Exact Mass: 336.06435
- Monoisotopic Mass: 336.06431462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 479
- 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: 4.3
- Topological Polar Surface Area: 68.8?2
Experimental Properties
- PSA: 60.44
Methanesulfonic acid, trifluoro-, 2-(1-oxo-6-heptenyl)phenyl ester Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
646522-80-7 (Methanesulfonic acid, trifluoro-, 2-(1-oxo-6-heptenyl)phenyl ester) Related Products
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