Ethyl 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propionate - CAS 252955-06-9
Catalog: |
BB018848 |
Product Name: |
Ethyl 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propionate |
CAS: |
252955-06-9 |
Synonyms: |
3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoic acid ethyl ester; ethyl 3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate |
IUPAC Name: | ethyl 3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate |
Description: | Ethyl 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propionate (CAS# 252955-06-9 ) is a useful research chemical. |
Molecular Weight: | 276.21 |
Molecular Formula: | C12H11F3O4 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC=C(C=C1)OC(F)(F)F |
InChI: | InChI=1S/C12H11F3O4/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)19-12(13,14)15/h3-6H,2,7H2,1H3 |
InChI Key: | OZDBXRIZLMRCIX-UHFFFAOYSA-N |
Boiling Point: | 296.7 ℃ at 760 mmHg |
Density: | 1.288 g/cm3 |
MDL: | MFCD00192131 |
LogP: | 2.72110 |
Publication Number | Title | Priority Date |
JP-2011251945-A | Pyrimidine derivatives, agricultural and horticultural insecticides containing the derivatives, and methods of use thereof | 20100602 |
JP-5613461-B2 | Pyrimidine derivatives, agricultural and horticultural insecticides containing the derivatives, and methods of use thereof | 20100602 |
EP-1317433-A2 | Inhibitors of glycogen synthase kinase 3 | 20000906 |
WO-0220495-A2 | Inhibitors of glycogen synthase kinase 3 | 20000906 |
EP-1087963-A1 | Inhibitors of glycogen synthase kinase 3 | 19980619 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.06094331 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.06094331 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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