AG00I932

50586-80-6 | Ethanol, 2-(2-methoxyethoxy)-, 4-methylbenzenesulfonate

AG00I932

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CAS Number	50586-80-6
Catalog Number	AG00I932(AGN-PC-0JD94K)
Chemical Name	Ethanol, 2-(2-methoxyethoxy)-, 4-methylbenzenesulfonate
IUPAC Name	2-(2-methoxyethoxy)ethyl 4-methylbenzenesulfonate
InChI	InChI=1S/C12H18O5S/c1-11-3-5-12(6-4-11)18(13,14)17-10-9-16-8-7-15-2/h3-6H,7-10H2,1-2H3
InChI Key	PBKGNJXLJQARIN-UHFFFAOYSA-N
MDL Number	MFCD13184964
Molecular Formula	C12H18O5S
Molecular Weight	274.3333
SMILES	S(=O)(=O)(OCCOCCOC)c1ccc(cc1)C
Synonyms	m-PEG3-Tos, 50586-80-6, 2-(2-methoxyethoxy)ethyl 4-methylbenzene-1-sulfonate, 2-(2-METHOXYETHOXY)ETHYL 4-METHYLBENZENESULFONATE, 2-methoxyethoxyethyl tosylate, 1-tosyloxy-3,6-dioxaheptane, SCHEMBL361530, PBKGNJXLJQARIN-UHFFFAOYSA-N, 2-(2-methoxyethoxy)ethyl tosylate, ZINC83254026, AKOS030213495, AS-69959, BP-20982, 2-(2-methoxyethoxy)ethyl p-toluenesulfonate, 2-(2-methoxyethoxy)ethyl 4-toluenesulfonate, CS-0031175, 2-(2-methoxy-ethoxy)ethyl 4-toluenesulfonate, (2-methoxyethoxy)ethyl 4-methylbenzenesulfonate, 2-(2-methoxyethoxyl)ethyl 4-methylbenzenesulfonate, p-Toluenesulfonic acid 2-(2-methoxyethoxy)ethyl ester, toluene-4-sulfonic acid 2-(2-methoxy-ethoxy)-ethyl ester, Ethanol, 2-(2-methoxyethoxy)-, 1-(4-methylbenzenesulfonate), CID11076628, 1-[2-(2-methoxyethoxy)ethoxysulfonyl]-4-methyl-benzene, 2-(2-methoxyethoxy)ethanol,4-methylbenzenesulfonic acid, Ethanol, 2-(2-methoxyethoxy)-, 4-methylbenzenesulfonate,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.087495g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.34g/mol
Monoisotopic Mass	274.087495g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	70.2Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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