AG0007B0

1023815-74-8 | (3,3-Dimethoxy-1-([(4-methylbenzenesulfonyl)oxy]methyl)cyclobutyl)methyl 4-methylbenzene-1-sulfonate

AG0007B0

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CAS Number	1023815-74-8
Catalog Number	AG0007B0(AGN-PC-0WD82M)
Chemical Name	(3,3-Dimethoxy-1-([(4-methylbenzenesulfonyl)oxy]methyl)cyclobutyl)methyl 4-methylbenzene-1-sulfonate
IUPAC Name	[3,3-dimethoxy-1-[(4-methylphenyl)sulfonyloxymethyl]cyclobutyl]methyl 4-methylbenzenesulfonate
InChI	InChI=1S/C22H28O8S2/c1-17-5-9-19(10-6-17)31(23,24)29-15-21(13-22(14-21,27-3)28-4)16-30-32(25,26)20-11-7-18(2)8-12-20/h5-12H,13-16H2,1-4H3
InChI Key	QFXYVIUEQYBCKC-UHFFFAOYSA-N
MDL Number	MFCD09881300
Molecular Formula	C22H28O8S2
Molecular Weight	484.5829
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OCC1(CC(C1)(OC)OC)COS(=O)(=O)C1=CC=C(C=C1)C
Synonyms	1023815-74-8, (3,3-dimethoxy-1-{[(4-methylbenzenesulfonyl)oxy]methyl}cyclobutyl)methyl 4-methylbenzene-1-sulfonate, (3,3-DIMETHOXY-1-{[(4-METHYLBENZENESULFONYL)OXY]METHYLCYCLOBUTYL)METHYL 4-METHYLBENZENE-1-SULFONATE, (3,3-Dimethoxy-1-([(4-methylbenzenesulfonyl)oxy]methyl)cyclobutyl)methyl 4-methylbenzene-1-sulfonate, SCHEMBL13453046, MFCD09881300, AKOS030238653, ZINC148967848, KS-000005M0, AS-52868, CS-0053391, 1,1-Cyclobutanedimethanol, 3,3-dimethoxy-, 1,1-bis(4-methylbenzenesulfonate), (3,3-dimethoxy-1-{[(4-methylbenzenesulfonyl)oxy]methyl}cyclobutyl)methyl4-methylbenzene-1-sulfonate, (3,3-dimethoxycyclobutane-1,1-diyl)bis(methylene)bis(4-methylbenzenesulfonate), 3,3-dimethoxy-1-{[(4-methylbenzenesulfonyl)oxy]methyl}cyclobutyl)methyl 4-methylbenzene-1-sulfonate,

Complexity	741
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	484.123g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	484.578g/mol
Monoisotopic Mass	484.123g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	122A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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