AG00058M

101691-65-0 | 2H-Pyran-4-methanol, tetrahydro-, 4-(4-methylbenzenesulfonate)

AG00058M

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CAS Number	101691-65-0
Catalog Number	AG00058M(AGN-PC-0NV9KQ)
Chemical Name	2H-Pyran-4-methanol, tetrahydro-, 4-(4-methylbenzenesulfonate)
IUPAC Name	oxan-4-ylmethyl 4-methylbenzenesulfonate
InChI	InChI=1S/C13H18O4S/c1-11-2-4-13(5-3-11)18(14,15)17-10-12-6-8-16-9-7-12/h2-5,12H,6-10H2,1H3
InChI Key	DCBKCZSYJRZBDB-UHFFFAOYSA-N
MDL Number	MFCD09475806
Molecular Formula	C13H18O4S
Molecular Weight	270.3446
SMILES	O=S(C1=CC=C(C)C=C1)(OCC2CCOCC2)=O
Synonyms	101691-65-0, (Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulfonate, (Tetrahydropyran-4-yl)methyl tosylate, (Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulphonate, (Tetrahydro-2H-pyran-4-yl)methyl tosylate, Toluene-4-sulfonic acid tetrahydro-pyran-4-ylmethyl ester, (Oxan-4-yl)methyl 4-methylbenzene-1-sulfonate, (Tetrahydro-2H-pyran-4-yl)methyl4-methylbenzenesulphonate, oxan-4-ylmethyl 4-methylbenzenesulfonate, ACMC-1C7FP, SCHEMBL282892, (tetrahydro-2H-pyran-4-yl)methyl4-methylbenzenesulfonate, CTK4A0109, DTXSID70597851, DCBKCZSYJRZBDB-UHFFFAOYSA-N, ANW-14512, MFCD09475806, ZINC15021107, AKOS015855083, MCULE-5248896281, RTR-000420, KS-000019Q4, AJ-66850, AK-55476, AS-38466, CJ-14951, AB0032628, TR-000420, 4CH-024908, CS-0045942, oxan-4-ylmethyl 4-methylbenzene-1-sulfonate, ST24036485, X6003, B-6256, tetrahydropyran-4-ylmethyl 4-methylbenzenesulfonate, I14-25503, Toluene-4-sulfonic acid tetrahydopyran-4-ylmethylester, F2147-0725, Toluene-4-sulfonic acid tetrahydropyran-4-ylmethylester, (tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzene-sulfonate, Toluene-4-sulfonic acid tetrahydro-pyran-4-yl-methyl ester, toluene-4-sulfonic acid tetrahydro-pyran-4yl-methyl ester, 2H-Pyran-4-methanol,tetrahydro-, 4-(4-methylbenzenesulfonate), 2H-Pyran-4-methanol,tetrahydro-,4-(4-methylbenzenesulfonate), 2H-Pyran-4-methanol, tetrahydro-, 4-(4-methylbenzenesulfonate), C13H18O4S, C3139,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.093g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	270.343g/mol
Monoisotopic Mass	270.093g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	61A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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

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