AG003B9Q

81-08-3 | 3H-Benzo[c][1,2]oxathiol-3-one 1,1-dioxide

AG003B9Q

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CAS Number	81-08-3
Catalog Number	AG003B9Q(AGN-PC-0JL6SX)
Chemical Name	3H-Benzo[c][1,2]oxathiol-3-one 1,1-dioxide
EC Number	201-322-6
IUPAC Name	1,1-dioxo-2,1λ6-benzoxathiol-3-one
InChI	InChI=1S/C7H4O4S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H
InChI Key	NCYNKWQXFADUOZ-UHFFFAOYSA-N
MDL Number	MFCD00005879
Molecular Formula	C7H4O4S
Molecular Weight	184.1693
SMILES	O=S1(=O)c2c(C(=O)O1)cccc2
UNII	0SWH68IQ5W
Synonyms	2-sulfobenzoic acid cyclic anhydride, 2-sulfobenzoic anhydride, 2-sulfobenzoic cyclic anhydride, o-sulfobenzoic anhydride, 81-08-3, 2-Sulfobenzoic anhydride, 2-Sulfobenzoic acid cyclic anhydride, Sulfobenzoic anhydride, o-Sulfobenzoic acid anhydride, 3H-Benzo[c][1,2]oxathiol-3-one 1,1-dioxide, 3H-2,1-Benzoxathiol-3-one, 1,1-dioxide, UNII-0SWH68IQ5W, MFCD00005879, 2,1-Benzoxathiol-3-one-1,1-dioxide, NSC 11208, o-Sulfobenzoic acid, cyclic anhydride, 0SWH68IQ5W, Benzoic acid, 2-sulfo-, cyclic anhydride, NCYNKWQXFADUOZ-UHFFFAOYSA-N, NSC11208, 3H-2,1-benzoxathiol-3-one 1,1-dioxide, 3H-2, 1,1-dioxide, benzo[c]1,2-oxathiolene-1,1,3-trione, 2-Sulfobenzoic acid cyclic anhydride, 95%, 2-Sulphobenzoic anhydride, C7H4O4S, Sulfobenzoicanhydride, EINECS 201-322-6, Sulphobenzoicanhydride, SBAA, Benzoic acid, o-sulfo-, cyclic anhydride, 1,1-dioxo-2,1, AC1L23UB, SCHEMBL111049, DTXSID4038681, KS-00000YJE, 1,1-dioxobenzo[c]oxathiol-3-one, BCP26935, NSC49162, ZINC1712792, o-Sulfobenzoic acid cyclic anhydride, NSC-11208, NSC-49162, SBB066363, AKOS000121535, BENZOIC ACID,2-SULFO,ANHYDRIDE, FS-4037, MCULE-3338526108, AC-18348, AJ-30801, BC213572, o-SULFOBENZOIC ACID cyclic-ANHYDRIDE, SC-19563, U162, 2,1$l^{6}-benzoxathiole-1,1,3-trione, 3-Oxo-3H-2,1-benzoxathiole 1,1-dioxide, 3H-2,1lambda-benzoxathiole-1,1,3-trione, ST2410850, 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one, CS-0066044, FT-0613416, S0124, ST50825213, V2118, S-9350, Benzoic acid, o-sulfo-, cyclic anhydride (8CI), 3H-2,1-Benzoxathiol-3-one, 1,1-dioxide (9CI), I09-0101, J-610045, F0777-0781, 2-Sulfobenzoic acid cyclic anhydride, technical grade, 90%, InChI=1/C7H4O4S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4, o-Sulfobenzoic anhydride, 2-Sulfobenzoicanhydride, 2-sulfobenzoesyreanhydrid, 2-sulfobenzoic acid anhydride, C7H6O5S, Benzoic acid, cyclic anhydride, 2-Sulphobenzoic cyclic anhydride, C7-H4-O4-S, CID65729, 1,3-dihydro-2,1lambda~6~-benzoxathiole-1,1,3-trione, 2-Sulfobenzoic acid cyclic anhydride, 95% - 100G 100g,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.983g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.165g/mol
Monoisotopic Mass	183.983g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	68.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

Lot Number