AG003LAY

17129-06-5 | 4-Ethoxy-1,1,1-trifluorobut-3-en-2-one

AG003LAY

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CAS Number	17129-06-5
Catalog Number	AG003LAY(AGN-PC-00MHXU)
Chemical Name	4-Ethoxy-1,1,1-trifluorobut-3-en-2-one
IUPAC Name	(E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
InChI	InChI=1S/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3+
InChI Key	YKYIFUROKBDHCY-ONEGZZNKSA-N
MDL Number	MFCD00192131
Molecular Formula	C6H7F3O2
Molecular Weight	168.1138
SMILES	O=C(/C=C/OCC)C(F)(F)F
Synonyms	17129-06-5, 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, 4-ethoxy-1,1,1-trifluorobut-3-en-2-one, (E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one, 59938-06-6, (3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one, ETFBO, 2-Ethoxyvinyl trifluoromethyl ketone, (E)-4-ethoxy-1,1,1-trifluoro-3-buten-2-one, MFCD00192131, 4-ethoxy, 4-ethoxy-1,1,1-trifluoro-but-3-en-2-one, AC1NWOEQ, PubChem20219, HmTDpJDIAICICHiCLdjifhDM@, 3-Buten-2-one, 4-ethoxy-1,1,1-trifluoro-, (3E)-, DTXSID70420776, YKYIFUROKBDHCY-ONEGZZNKSA-N, ZINC2557016, 8935AB, BBL104347, FD2031, SBB015071, STK400141, AKOS000311498, AKOS025149133, AB04641, CS-W007845, EF10055, LS40482, RP23065, RTC-020863, SB11842, AJ-40031, BC207973, BR-44876, CJ-09425, EN002108, SC-15592, SC-19840, ST075442, 1,1,1-Trifluoro-4-ethoxy-3-buten-2-one, AB0003829, DB-012941, ST2411390, TC-020863, TC-163030, C3339, FT-0083415, TL80073562, W3737, C-5145, (e)-4-ethoxy-1,1,1-trifluoro-but-3-en-2-one, 129E065, 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, 97%, 3S101392, 3S210849, I14-1213, J-010709, J-515260, 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, contains 0.5% BHT as stabilizer, technical grade, InChI=1/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3, 4-Chloro-alpha-methylstyrene, C6H7F3O2, ZINC02557016, ACN-051409, CID5709222, R2201, 4-Ethoxy-1,1,1-trifluorobut-3-en-2-one 100g, 3-BUTEN-2-ONE, 4-ETHOXY-1,1,1-TRIFLUORO-, 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, 95% - 1G 1g, 1712-70-5, 252955-06-9,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	168.04g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.115g/mol
Monoisotopic Mass	168.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H340-H351
Packing Group	Ⅲ
Precautionary statements	P201-P308+P313-P403+P235
UN Code	UN 1224

Certificate of Analysis

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