1,4-Dioxaspiro[4.5]dec-7-en-8-yl Trifluoromethanesulfonate - CAS 170011-47-9
Catalog: |
BB012595 |
Product Name: |
1,4-Dioxaspiro[4.5]dec-7-en-8-yl Trifluoromethanesulfonate |
CAS: |
170011-47-9 |
Synonyms: |
trifluoromethanesulfonic acid 1,4-dioxaspiro[4.5]dec-7-en-8-yl ester; 1,4-dioxaspiro[4.5]dec-7-en-8-yl trifluoromethanesulfonate |
IUPAC Name: | 1,4-dioxaspiro[4.5]dec-7-en-8-yl trifluoromethanesulfonate |
Description: | 1,4-Dioxaspiro[4.5]dec-7-en-8-yl Trifluoromethanesulfonate (CAS# 170011-47-9) is a useful research chemical. |
Molecular Weight: | 288.24 |
Molecular Formula: | C9H11F3O5S |
Canonical SMILES: | C1CC2(CC=C1OS(=O)(=O)C(F)(F)F)OCCO2 |
InChI: | InChI=1S/C9H11F3O5S/c10-9(11,12)18(13,14)17-7-1-3-8(4-2-7)15-5-6-16-8/h1H,2-6H2 |
InChI Key: | NOLMGELTBIIGOL-UHFFFAOYSA-N |
MDL: | MFCD14635485 |
LogP: | 2.74430 |
Publication Number | Title | Priority Date |
CN-112574201-A | Arylamine compound, pharmaceutical composition containing arylamine compound, and preparation method and application of arylamine compound | 20190929 |
TW-202039490-A | Heterobicyclic inhibitors of mat2a and methods of use for treating cancer | 20181227 |
WO-2020139991-A1 | Aza-heterobicyclic inhibitors of mat2a and methods of use for treating cancer | 20181227 |
WO-2020071550-A1 | Cdk8 inhibitor and use of same | 20181004 |
JP-WO2020071550-A1 | CDK8 Inhibitors and Their Applications | 20181004 |
Complexity: | 442 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.02792911 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.02792911 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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