AG006NHM

953-91-3 | Cyclohexyl 4-methylbenzenesulfonate

AG006NHM

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CAS Number	953-91-3
Catalog Number	AG006NHM(AGN-PC-0JKBC7)
Chemical Name	Cyclohexyl 4-methylbenzenesulfonate
EC Number	213-468-8
IUPAC Name	cyclohexyl 4-methylbenzenesulfonate
InChI	InChI=1S/C13H18O3S/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChI Key	OHHPZPDQZMUTCA-UHFFFAOYSA-N
MDL Number	MFCD00014291
Molecular Formula	C13H18O3S
Molecular Weight	254.3452
SMILES	O=S(C1=CC=C(C)C=C1)(OC2CCCCC2)=O
Synonyms	Cyclohexyl p-toluenesulfonate, 953-91-3, Cyclohexyl 4-methylbenzenesulfonate, CYCLOHEXYL TOSYLATE, Cyclohexyl toluenesulfonate, Cyclohexylp-toluenesulfonate, Cyclohexyl p-toluenesulphonate, Benzenesulfonic acid, 4-methyl-, cyclohexyl ester, p-Toluenesulfonic acid, cyclohexyl ester, Cyclohexyl-p-toluene sulfonate, OHHPZPDQZMUTCA-UHFFFAOYSA-N, MFCD00014291, Benzenesulfonic acid, cyclohexyl ester, EINECS 213-468-8, Cyclohexyl p-tosylate, NSC 122484, NSC 127370, ACMC-20aj06, cyclohexyl-p-toluenesulfonate, SCHEMBL361129, AC1L22C1, DTXSID3061348, KS-000013TR, ZINC1711873, 6425AC, ANW-75556, NSC122484, NSC127370, Cyclohexyl 4-methylbenzenesulfonate #, AKOS015840417, cyclohexyl 4-methylbenzene-1-sulfonate, MCULE-2046439296, NSC-122484, NSC-127370, p-Toluenesulfonic Acid Cyclohexyl Ester, toluene-4-sulfonic acid cyclohexyl ester, AJ-30775, CJ-29016, Toluene-4-sulfonic acid, cyclohexyl ester, DB-057582, TR-038550, 4-methylbenzenesulfonic acid cyclohexyl ester, FT-0624212, ST50410630, p-Toluenesulfonic acid, cyclohexyl ester (8CI), A845289, I01-23021, C13H18O3S, Cyclohexyl4-methylbenzenesulfonate, CID13722, C13-H18-O3-S, C2363,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.098g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.344g/mol
Monoisotopic Mass	254.098g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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