AG005BP6

764667-64-3 | 5-1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene-2,2-dimethyl-1,3-dioxane-4,6-dione

AG005BP6

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CAS Number	764667-64-3
Catalog Number	AG005BP6(AGN-PC-0U9SPY)
Chemical Name	5-1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene-2,2-dimethyl-1,3-dioxane-4,6-dione
IUPAC Name	5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI	InChI=1S/C14H11F3O5/c1-14(2)21-12(19)11(13(20)22-14)10(18)4-6-3-8(16)9(17)5-7(6)15/h3,5,18H,4H2,1-2H3
InChI Key	COUGIGFQGFTRPG-UHFFFAOYSA-N
MDL Number	MFCD12407134
Molecular Formula	C14H11F3O5
Molecular Weight	316.2293
SMILES	O=C(C1=C(O)CC2=CC(F)=C(F)C=C2F)OC(C)(C)OC1=O
Synonyms	764667-64-3, 5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[1-HYDROXY-2-(2,4,5-TRIFLUOROPHENYL)ETHYLIDENE]-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE, 5-1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene-2,2-dimethyl-1,3-dioxane-4,6-dione, COUGIGFQGFTRPG-UHFFFAOYSA-N, SCHEMBL898657, CTK5E2982, DTXSID80716157, C14H11F3O5, BCP27212, CH-651, MFCD12407134, AKOS015856163, ZINC100083815, DS-3253, 6-hydroxy-2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-dioxin-4-one, AK545465, AN-27325, TR-024478, AM20090690, FT-0083709, FT-0651554, Z1748, 667H643, I01-7563, 1,3-Dioxane-4,6-dione, 5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-, 1,3-Dioxane-4,6-dione,5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-, 2,2-Dimethyl-5-(alpha-hydroxy-2,4,5-trifluorophenethylidene)-1,3-dioxane-4,6-dione, 5-(1-hydroxy-2-(2,4,5-trifluorophenyl)-ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)-4,6-dionethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, CID10403453, A15797,

Complexity	495
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	316.056g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	316.232g/mol
Monoisotopic Mass	316.056g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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