AG003V9A

38768-08-0 | 7-Oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzenesulfonate

AG003V9A

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CAS Number	38768-08-0
Catalog Number	AG003V9A(AGN-PC-0JSXV0)
Chemical Name	7-Oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzenesulfonate
IUPAC Name	(7-oxocyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate
InChI	InChI=1S/C14H12O4S/c1-11-7-9-12(10-8-11)19(16,17)18-14-6-4-2-3-5-13(14)15/h2-10H,1H3
InChI Key	AWUMFQREGHLKJB-UHFFFAOYSA-N
MDL Number	MFCD00671574
Molecular Formula	C14H12O4S
Molecular Weight	276.3077
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC=CC1=O
Synonyms	38768-08-0, Tropolone Tosylate, 7-Oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzenesulfonate, 2-Tosyloxytropone, 2-Toluenesulfonyloxytropone, AWUMFQREGHLKJB-UHFFFAOYSA-N, 7-Oxo-1,3,5-cycloheptatrienyl p-toluenesulfonate, MFCD00671574, AK-79403, 7-oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzene-1-sulfonate, PubChem6334, AC1LBR8L, AC1Q6I3R, SCHEMBL2474943, CTK4I0462, DTXSID30340249, KS-00000H8R, ZINC2567314, 5016AB, ANW-58592, AKOS000661005, CM10005, FCH2706633, LS40328, ACM38768080, AJ-41391, BAS 01280703, DS-17655, 2-Tosyloxycyclohepta-2,4,6-triene-1-one, AX8156016, TR-031234, 4CH-003018, FT-0601842, ST24045727, I14-99988, (7-oxocyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate, 2-(Tosyloxy)-2,4,6-cycloheptatrien-1-one >=97.5% (HPLC), 2-(Tosyloxy)-2,4,6-cycloheptatrien-1-one, >=97.5% (HPLC), 7-Oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate #, Toluene-4-sulfonic acid 7-oxo-cyclohepta-1,3,5-trienyl ester, (1E,3Z,5Z)-7-oxocyclohepta-1,3,5-trienyl 4-methylbenzenesulfonate, 2,4,6-Cycloheptatrien-1-one,2-[[(4-methylphenyl)sulfonyl]oxy]-, C14H12O4S, AR-1H3888, CID562886, ZINC02567314, T1574, 7-Oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzenesulfote, 3899-50-1,

Complexity	526
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.046g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.306g/mol
Monoisotopic Mass	276.046g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H317-H334
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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