AG003RLW

67488-50-0 | 3-Methoxycarbonyl-3-sulfolene

AG003RLW

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CAS Number	67488-50-0
Catalog Number	AG003RLW(AGN-PC-0JQK91)
Chemical Name	3-Methoxycarbonyl-3-sulfolene
EC Number	266-700-5
IUPAC Name	methyl 1,1-dioxo-2,5-dihydrothiophene-3-carboxylate
InChI	InChI=1S/C6H8O4S/c1-10-6(7)5-2-3-11(8,9)4-5/h2H,3-4H2,1H3
InChI Key	YHHZABJZHHCDNW-UHFFFAOYSA-N
MDL Number	MFCD00042754
Molecular Formula	C6H8O4S
Molecular Weight	176.1903
NSC Number	640439
SMILES	O=C(C(C1)=CCS1(=O)=O)OC
Synonyms	67488-50-0, methyl 2,5-dihydrothiophene-3-carboxylate 1,1-dioxide, 3-Methoxycarbonyl-3-sulfolene, 3-Methoxycarbonyl-3-sulpholene, Methyl 3-sulfolene-3-carboxylate, NSC640439, methyl 1,1-dioxo-2,5-dihydrothiophene-3-carboxylate, MFCD00042754, 3-Sulfolene-3-carboxylic Acid Methyl Ester, 2,5-Dihydro-3-methoxycarbonylthiophene 1,1-Dioxide, 3-Methoxycarbonyl-2,5-dihydrothiophene-1,1-dioxide, C6H8O4S, 3-carbomethoxysulpholene, AC1Q5YLN, 3-Carbomethoxy-3-sulfolene, AC1L7Y3U, 3-Methoxycarbonyl-2,1-dioxide, SCHEMBL2738384, CHEMBL1970243, Methyl3-Sulfolene-3-carboxylate, CTK5C6242, ZINC156935, KS-000015SN, 3-Methoxycarbonyl-3-sulfolene, 98%, AKOS002679151, AKOS016047719, FCH1115836, MCULE-1609587717, NSC-640439, VZ27045, TRA-0191624, AJ-13914, AK111468, NCI60_013479, FT-0615998, S0476, ST50408365, Z3228, C-06124, Methyl 3-sulfolene-3-carboxylate, >=98.0% (S), Methyl 2,5-dihydrothiophene-3-carboxylate1,1-dioxide, I14-111223, Methyl 2,5-dihydro-3-thiophenecarboxylate 1,1-dioxide, 3-Methoxycarbonyl-2,5-dihydrothiophene-1,1-dioxide67488-50-0, 3-Thiophenecarboxylic acid, 2,5-dihydro-, methyl ester, 1,1-dioxide, C6-H8-O4-S, EINECS 266-700-5, AR-1J4556, CID368979, Methyl 2,5-dihydro-3-thenoate 1,1-dioxide, 3-Methoxycarbonyl-3-sulfolene, 98% - 1G 1g, 67875-20-1,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.014g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.186g/mol
Monoisotopic Mass	176.014g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number