AG003U10

3839-35-8 | Hexyl 4-methylbenzenesulfonate

AG003U10

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CAS Number	3839-35-8
Catalog Number	AG003U10(AGN-PC-09TXRP)
Chemical Name	Hexyl 4-methylbenzenesulfonate
IUPAC Name	hexyl 4-methylbenzenesulfonate
InChI	InChI=1S/C13H20O3S/c1-3-4-5-6-11-16-17(14,15)13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3
InChI Key	IVQOVYWBHRSGJI-UHFFFAOYSA-N
MDL Number	MFCD00059439
Molecular Formula	C13H20O3S
Molecular Weight	256.3611
NSC Number	3219
SMILES	CC1=CC=C(S(=O)(OCCCCCC)=O)C=C1
Synonyms	3839-35-8, Hexyl p-Toluenesulfonate, Hexyl 4-methylbenzenesulfonate, p-Toluenesulfonic acid n-hexyl ester, IVQOVYWBHRSGJI-UHFFFAOYSA-N, Benzenesulfonic acid,4-methyl-, hexyl ester, hexyl tosylate, P-TOLUENESULFONICACIDN-HEXYLESTER, n-hexyl p-toluenesulfonate, AC1L58TD, SCHEMBL812482, ACMC-209j00, AC1Q6Y93, CTK4H9882, Hexyl 4-methylbenzenesulfonate #, DTXSID10277625, NSC3219, hexyl 4-methylbenzene-1-sulfonate, p-Toluenesulfonic Acid Hexyl Ester, KS-00000UD8, NSC-3219, ZINC1666653, ANW-28894, MFCD00059439, AKOS027321037, VZ33573, CJ-26977, DB-049277, TC-117639, FT-0635031, benzenesulfonic acid, 4-methyl-, hexyl ester, InChI=1/C13H20O3S/c1-3-4-5-6-11-16-17(14,15)13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H, AR-1J1914, CID220448, T0883, 4855-71-4,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.113g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.36g/mol
Monoisotopic Mass	256.113g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number