AG00GSVA

88-20-0 | 2-Toluenesulfonic acid

AG00GSVA

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CAS Number	88-20-0
Catalog Number	AG00GSVA(AGN-PC-0JK7TI)
Chemical Name	2-Toluenesulfonic acid
EC Number	201-809-3
IUPAC Name	2-methylbenzenesulfonic acid
InChI	InChI=1S/C7H8O3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChI Key	LBLYYCQCTBFVLH-UHFFFAOYSA-N
MDL Number	MFCD00069442
Molecular Formula	C7H8O3S
Molecular Weight	172.2016
SMILES	O=S(C1=CC=CC=C1C)(O)=O
UNII	4ZHF5BMF7N
Synonyms	2-methylbenzenesulfonic acid, 88-20-0, 2-Toluenesulfonic acid, Toluene-2-sulfonic acid, Benzenesulfonic acid, 2-methyl-, UNII-4ZHF5BMF7N, Toluenesulphonic acid, o-toluenesulfonic acid, 4ZHF5BMF7N, Toluene-2-sulphonic acid, toluenesulfonicacid, O-TOLUENE SULFONIC ACID, toluensulfonic acid, EINECS 201-809-3, o-Toluenesulfonicacid, toluene-sulfonic acid, toluene sulphonic acid, o-toluene-sulfonic acid, 2-toluene-sulfonic acid, AC1L1NLS, ortho-toluene sulfonic acid, AC1Q6WT7, SCHEMBL1748, NCIOpen2_001232, 2-methylbenzenesulphonic acid, 2-methylbenzene-1-sulfonic acid, CHEMBL3306053, DTXSID1045035, SCHEMBL10433745, CTK4F5253, LBLYYCQCTBFVLH-UHFFFAOYSA-N, ZINC1562048, ANW-61234, MFCD00069442, RW1262, AKOS006272126, AJ-27078, AM101460, AN-42419, AS-12852, SC-28502, AB1009811, DB-006221, ST2404500, TC-061597, 4CH-018950, FT-0080996, FT-0613454, 18768-EP2270003A1, 18768-EP2272537A2, 18768-EP2277875A2, 18768-EP2286811A1, 18768-EP2314576A1, 18768-EP2377847A1, 34852-EP2269975A2, 34852-EP2269989A1, 34852-EP2269997A2, 34852-EP2270006A1, 34852-EP2270012A1, 34852-EP2270013A1, 34852-EP2272537A2, 34852-EP2272822A1, 34852-EP2275415A2, 34852-EP2280000A1, 34852-EP2280012A2, 34852-EP2281823A2, 34852-EP2284174A1, 34852-EP2286811A1, 34852-EP2289894A2, 34852-EP2292234A1, 34852-EP2292597A1, 34852-EP2292619A1, 34852-EP2301931A1, 34852-EP2305681A1, 34852-EP2308510A1, 34852-EP2311801A1, 34852-EP2311802A1, 34852-EP2311803A1, 34852-EP2311838A1, 34852-EP2371814A1, 97813-EP2305685A1, 97813-EP2305686A1, 111621-EP2272827A1, 111621-EP2287167A1, 111621-EP2298757A2, Toluenesulfonic acid, Toluene sulfonic acid, Methylbenzenesulfonic acid, ar-Toluenesulfonic acid, C7H8O3S, GSK J2, Benzenesulfonic acid, methyl-, CID6925, C7-H8-O3-S, AR-1L6979, NA2584, UN2584, N-(Pyrrolidin-3-ylmethyl)cyclopropanamine, 25231-46-3, 1394854-52-4, 941-37-7,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.019g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.198g/mol
Monoisotopic Mass	172.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

Lot Number