AG003Q40

571-55-1 | Ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate

AG003Q40

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CAS Number	571-55-1
Catalog Number	AG003Q40(AGN-PC-0KK8CF)
Chemical Name	Ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate
IUPAC Name	ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate
InChI	InChI=1S/C9H11F3O4/c1-3-15-5-6(8(14)16-4-2)7(13)9(10,11)12/h5H,3-4H2,1-2H3/b6-5+
InChI Key	XNGGOXOLHQANRB-AATRIKPKSA-N
MDL Number	MFCD02677683
Molecular Formula	C9H11F3O4
Molecular Weight	240.1764
SMILES	O=C(OCC)/C(C(C(F)(F)F)=O)=C/OCC
Synonyms	571-55-1, ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate, ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate, Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate, MFCD02677683, ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate, ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate, (E)-ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate, ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate, EN300-27693, AC1O1YXB, Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate, C9H11F3O4, XNGGOXOLHQANRB-AATRIKPKSA-N, 1048670-08-1, ZINC2582810, PC4732, SBB099234, AKOS009124416, RTR-019979, AJ-43145, BR-49930, CC-27711, CJ-10279, EN002514, AB0025580, BC4149794, ST2407007, TR-019979, C3280, W7066, C-5009, A831330, C-14369, 3S104994, I14-0139, ethyl (2E)-3-ethoxy-2-(2,2,2-trifluoroacetyl)prop-2-enoate, 2-Ethoxymethylene-4,4,4-trifluoro-3-oxobutyric acid ethyl ester, (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester, 2-[1-Ethoxy-meth-(E)-ylidene]-4,4,4-trifluoro-3-oxo-butyric acid ethyl ester, ethyl (2E)-2-(ethoxymethylidene)-4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate, Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate,mixture of cis and trans, 96%, ZINC02510243, ACN-051464, CID6185754, Ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate, ethyl 3-ethoxy-2-(2,2,2-trifluoroacetyl)acrylate, Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate, 97%, mixture of cis and trans - 25G 25g,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	240.061g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	240.178g/mol
Monoisotopic Mass	240.061g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number