AG0035UH

2689-68-1 | Methyl 4-oxotetrahydrothiophene-3-carboxylate

AG0035UH

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CAS Number	2689-68-1
Catalog Number	AG0035UH(AGN-PC-0JM30I)
Chemical Name	Methyl 4-oxotetrahydrothiophene-3-carboxylate
EC Number	220-256-9
IUPAC Name	methyl 4-oxothiolane-3-carboxylate
InChI	InChI=1S/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3
InChI Key	LEAKUJFYXNILRB-UHFFFAOYSA-N
MDL Number	MFCD00052381
Molecular Formula	C6H8O3S
Molecular Weight	160.1909
NSC Number	127560
SMILES	O=C1C(CSC1)C(=O)OC
Synonyms	Methyl 4-Oxotetrahydrothiophene-3-carboxylate, 2689-68-1, 4-Carbomethoxytetrahydro-3-thiophenone, methyl 4-oxothiolane-3-carboxylate, 4-Carbomethoxy-3-thiophanone, 3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester, Methyl tetrahydro-4-oxo-3-thiophenecarboxylate, Methyl 3-oxotetrahydrothiophene-4-carboxylate, LEAKUJFYXNILRB-UHFFFAOYSA-N, 4-Carbomethoxytetrahydro-3-Thi Ophenone, Methyl4-oxo-tetrahydrothiophene-3-carboxylate, methyl 4-oxo-tetrahydrothiophene-3-carboxylate, methyl 4-oxo-2,3,5-trihydrothiophene-3-carboxylate, W-202140, Methyl tetrahydro-4-oxo-3-thenoate, zlchem 83, EINECS 220-256-9, NSC 127560, PubChem15771, AC1Q6EVO, Methyl4-oxotetrahydrothiophene-3-carboxylate, 4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster, AC1Q43YL, SCHEMBL189981, AC1L405P, SCHEMBL11051478, CTK4E8549, ZLB0071, 99328-39-9, ACT03773, STR01903, ZX-AT004838, ANW-47269, FCH918774, MFCD00052381, NSC127560, SBB053871, AKOS000281333, AKOS016340868, 3-carbomethoxytetrahydrothiophene-4-one, CM-1194, HT21162, MCULE-1977315680, NSC-127560, OR25037, PS-4377, RP02140, SDCCGMLS-0066124.P001, 3-Oxo-4-methoxycarbonyltetrahydrothiophene, 4-oxo-3-methoxycarbonyltetrahydrothiophene, AK-34458, AN-18910, BR-34458, CC-18558, SC-50927, AX8003721, DB-015135, ST2407263, TX-012426, A5274, BB 0218009, FT-0628657, ST50949727, W5005, methyl 4-oxotetrahydro-thiophene-3-carboxylate, methyl tetrahydro-4-oxothiophene-3-carboxylate, C-1089, EN300-105501, Methyl 4-oxotetrahydro-3-thiophenecarboxylate #, methyl tetrahydro-4-oxo-3-thiophene carboxylate, methyl tetrahydro-thiophene-3-one-4-carboxylate, methyl-4-oxo-tetrahydro-thiophene-3-carboxylate, 689M681, C-03993, methyl 3-keto-1,5-dihydrothiophene-4-carboxylate, methyl 3-keto-3,4-dihydrothiophene-4-carboxylate, Methyl 4-oxotetrahydrothiophene-3-carboxylate, tech, S09-0063, 4-oxotetrahydro-3-thiophencarboxylic acid methyl ester, 3-oxo-tetrahydrothiophene-4-carboxylic acid methyl ester, 4-oxotetrahydro thiophene-3-carboxylic acid methyl ester, methyl 4-oxo-2,3,4,5-tetrahydrothiophene-3-carboxylate, methyl-4-oxo-2,3,4,5-tetrahydrothiophene-3-carboxylate, Tetrahydro-4-oxo-3-thiophenecarboxylic acid methyl ester, Tetrahydrothiophen-3-one-4-carboxylic acid, methyl ester, 4-Oxo-tetrahydro-thiophene-3-carboxylic acid methyl ester, tetrahydro-4-oxo-3-thiophene carboxylic acid, methyl ester, 3-Thiophenecarboxylicacid, 2,5-dihydro-4-hydroxy-, methyl ester, C6H8O3S, C6-H8-O3-S, CID98424, AR-1G1417, 3-Thiophenecarboxylic acid, methyl ester, methyl 4-oxotetrahydrothiophene-3-carboxylate, 95+%, 22097-90-1, Methyl 4-oxotetrahydrothiophene-3-carboxylate, 97% - 5G 5g, 6320-08-7, 78647-31-1,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.019g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.187g/mol
Monoisotopic Mass	160.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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