AG003Q7U

372-30-5 | Ethyl 4,4,4-trifluoro-3-hydroxybutanoate

AG003Q7U

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CAS Number	372-30-5
Catalog Number	AG003Q7U(AGN-PC-0JMOPO)
Chemical Name	Ethyl 4,4,4-trifluoro-3-hydroxybutanoate
EC Number	609-363-5
IUPAC Name	ethyl 4,4,4-trifluoro-3-hydroxybutanoate
InChI	InChI=1S/C6H9F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3
InChI Key	ZWEDFBKLJILTMC-UHFFFAOYSA-N
MDL Number	MFCD00040842
Molecular Formula	C6H9F3O3
Molecular Weight	186.1291
SMILES	O=C(OCC)CC(O)C(F)(F)F
Synonyms	ethyl 3FHB, ethyl 4,4,4-trifluoro-3-hydroxybutanoate, Ethyl 3-hydroxy-4,4,4-trifluorobutyrate, 372-30-5, ethyl 4,4,4-trifluoro-3-hydroxybutanoate, Ethyl 4,4,4-Trifluoro-3-hydroxybutyrate, ZWEDFBKLJILTMC-UHFFFAOYSA-N, 4,4,4-Trifluoro-3-hydroxybutyric Acid Ethyl Ester, MFCD00040842, ethyl 3-hydroxy-4,4,4-trifluorobutanoate, (R)-Ethyl 4,4,4-trifluoro-3-hydroxybutanoate, 3-Hydroxy-4,4,4-trifluorobutyric acid ethyl ester, Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, ethyl ester, ZERO/000563, ACMC-209irs, AC1Q4IHI, ACMC-20al28, AC1L37ZU, KSC496K8B, SCHEMBL195939, CTK3J6580, CS-B1752, ANW-28598, SBB001552, AKOS005206879, AB01831, AC-7738, AN-8677, MCULE-2073476806, RTR-015145, TRA0058962, VZ32108, KS-000010B4, AS-30101, ethyl 3-hydroxyl-4,4,4-trifluorobutyrate, DB-049084, ethyl 4,4,4-trifluoro-3-hydroxy butanoate, ethyl 4,4,4-trifluoro-3-hydroxy-butanoate, TR-015145, AM20090598, FT-0615818, ST50410969, V5565, K-8236, ethyl (+/-)-4,4,4-trifluoro-3-hydroxybutanoate, 4,4,4-trifluoro-3-hydroxy-butyric acid ethyl ester, I14-6684, J-521315, C6H9F3O3, AR-1I9007, CID136210, ACN-051438, ethyl3-hydroxy-4,4,4-trifluorobutyrate, C3431, T1949, Ethyl (R)-(+)-4,4,4-trifluoro-3-hydroxybutyrate, Ethyl 4,4,4-trifluoro-3-hydroxybutyrate, 97% - 1G 1g, 85571-85-3, 99437-70-4, 39078-08-5, 453-34-9,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.05g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.13g/mol
Monoisotopic Mass	186.05g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P280g-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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