AG003RLU

57409-51-5 | Methyl 2,4-dioxo-4-(thiophen-2-yl)butanoate

AG003RLU

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CAS Number	57409-51-5
Catalog Number	AG003RLU(AGN-PC-0KKUB8)
Chemical Name	Methyl 2,4-dioxo-4-(thiophen-2-yl)butanoate
IUPAC Name	methyl 2,4-dioxo-4-thiophen-2-ylbutanoate
InChI	InChI=1S/C9H8O4S/c1-13-9(12)7(11)5-6(10)8-3-2-4-14-8/h2-4H,5H2,1H3
InChI Key	NBLQZHPVSHJRML-UHFFFAOYSA-N
MDL Number	MFCD01249731
Molecular Formula	C9H8O4S
Molecular Weight	212.2224
SMILES	O=C(OC)C(CC(C1=CC=CS1)=O)=O
Synonyms	57409-51-5, methyl 2,4-dioxo-4-(thiophen-2-yl)butanoate, 2,4-Dioxo-4-thiophen-2-yl-butyric acid methyl ester, methyl 2,4-dioxo-4-thien-2-ylbutanoate, methyl 2,4-dioxo-4-(2-thienyl)butanoate, MFCD01249731, Methyl 2,4-dioxo-4-(2-thienyl)butyrate, 2,4-Dioxo-4-(2-thienyl)butyric Acid Methyl Ester, AC1MCKB3, methyl 2-thienoylpyruvate, AC1Q41N6, SCHEMBL20486436, CTK5A6818, 2,4-DIOXO-4-THIOPHEN-2-YL-BUTYRICACIDMETHYLESTER, DTXSID60378010, ALBB-010030, KS-00000N4B, BBL008306, KM0103, SBB021373, STK299949, AKOS000267097, ZINC100003546, DS-2815, GL-0090, RP26674, TRA0004505, VZ32499, AC-28066, AK117452, Methyl 4-(2-thienyl)-2,4-dioxobutanoate, AB0131635, DB-053049, methyl 2,4-dioxo-4-(thien-2-yl)butanoate, methyl 2,4-dioxo-4-thiophen-2-ylbutanoate, ST2407095, TR-020045, 4CH-017637, BB 0219129, FT-0640456, M2936, ST45092534, EN300-11099, 2-Thiophenebutanoicacid, a,g-dioxo-, methyl ester, A831434, methyl 2,4-dioxo-4-(thien-2-yl)-4-ylbutanoate, SR-01000058945, 2,4-Dioxo-4-thiophen-2-ylbutyric acid methyl ester, 4-(2-Thienyl)-2,4-dioxobutyric acid methyl ester, J-507252, SR-01000058945-1, 2,4-dioxo-4-thiophen-2-ylbutanoic acid methyl ester, I14-30634, F1673-1679, methyl 2,4-bis(oxidanylidene)-4-thiophen-2-yl-butanoate, 2-thiophenebutanoic acid, alpha,gamma-dioxo-, methyl ester, ACN-051916, CID2771673, Methyl 2,4-dioxo-4-thiophen-2-yl-butanoate, Methyl2,4-dioxo-4-(thiophen-2-yl)butanoate, 2,4-Dioxo-4-thiophen-2-yl-butyric acid methyl ester, 97% - 1G 1g,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.014g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.219g/mol
Monoisotopic Mass	212.014g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	88.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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