AG003ICI

1547-36-0 | 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid

AG003ICI

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CAS Number	1547-36-0
Catalog Number	AG003ICI(AGN-PC-0JKC6K)
Chemical Name	4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
IUPAC Name	4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
InChI	InChI=1S/C5H4F6O3/c6-4(7,8)3(14,1-2(12)13)5(9,10)11/h14H,1H2,(H,12,13)
InChI Key	NOHJBOWARMTILE-UHFFFAOYSA-N
MDL Number	MFCD00040910
Molecular Formula	C5H4F6O3
Molecular Weight	226.0739
SMILES	O=C(O)CC(C(F)(F)F)(C(F)(F)F)O
Synonyms	1547-36-0, 3,3-Bis(trifluoromethyl)-3-hydroxypropionic acid, 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid, BRN 1911706, 3-Hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid, BUTYRIC ACID, 3-HYDROXY-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-, 4,4,4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUTYRIC ACID, MFCD00040910, 4,4,4-Trifluoro-3-hydroxy-3-trifluoromethylbutyric acid, Butanoic acid, 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-, Butanoic acid,4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-, C5H4F6O3, ACMC-20anh2, SCHEMBL960819, AC1L25H8, CTK4C8385, DTXSID20165701, NOHJBOWARMTILE-UHFFFAOYSA-N, ZINC2039468, ZX-AN010869, ZX-AP005489, 4846AD, PC0278, SBB051078, AKOS005173386, MCULE-2924267833, VZ34852, CC-12871, LS-48079, DB-043234, TR-006451, FT-0616968, ST50949111, C-5425, A809567, C-12826, I04-5166, 3-Hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid, 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl) butyric acid, 4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)butanoic acid, C5-H4-F6-O3, CID15244, 3,3-BIS -3-HYDROXYPROPIONICACID, Butyric acid, 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.006g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	226.074g/mol
Monoisotopic Mass	226.006g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
UN Code	UN 3261

Certificate of Analysis

Lot Number