AG003950

97-05-2 | 5-Sulphosalicylic acid

AG003950

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CAS Number	97-05-2
Catalog Number	AG003950(AGN-PC-0JK817)
Chemical Name	5-Sulphosalicylic acid
EC Number	202-555-6
IUPAC Name	2-hydroxy-5-sulfobenzoic acid
InChI	InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
InChI Key	YCPXWRQRBFJBPZ-UHFFFAOYSA-N
MDL Number	MFCD00007508
Molecular Formula	C7H6O6S
Molecular Weight	218.1839
SMILES	S(=O)(=O)(O)C1=CC=C(C(C(=O)O)=C1)O
UNII	L8XED79U3U
Synonyms	2-hydroxy-5-sulfobenzoic acid, 2-hydroxybenzoic-5-sulfonic acid, 3-carboxy-4-hydroxybenzenesulfonate, 3-carboxy-4-hydroxybenzenesulfonic acid, 5-sulfosalicylic acid, cesium 5-sulfosalicylate, phlogosam, phlogosol, salicylsulfonic acid, sulfosalicylic acid, sulfosalicylic acid, beryllium salt (1:1), sulfosalicylic acid, beryllium salt (2:1), 2-Hydroxy-5-sulfobenzoic acid, 5-Sulfosalicylic acid, SULFOSALICYLIC ACID, 97-05-2, 5-Sulphosalicylic acid, Salicylsulfonic acid, Benzoic acid, 2-hydroxy-5-sulfo-, Salicylic acid, sulfo-, Benzoic acid, 2-hydroxysulfo-, Sulphosalicylic acid, Salicylic acid, 5-sulfo-, 2-Hydroxybenzoic-5-sulfonic acid, Kalcolor anodizing acid, 3-Carboxy-4-hydroxybenzenesulfonic acid, UNII-L8XED79U3U, Sulfosalicylic acid (VAN), Salicylsulfonic acid (VAN), Sulphosalicylic acid (VAN), NSC 190565, 5-Sulfosalicylate, 5-sulfo-Salicylic acid, EINECS 202-555-6, BRN 0650741, L8XED79U3U, CP 18121, AI3-18246, AI3-32582, CHEMBL229241, 2-hydroxy-5-sulfo-benzoic acid, CHEBI:68555, YCPXWRQRBFJBPZ-UHFFFAOYSA-N, WLN: WSQR DQ CVQ, sulfo salicylic acid, SULFOSALICYLIC, Salicyl-sulfonic Acid, 5-sulfosalicyclic acid, 2-hydroxysulfo-Benzoate, AC1Q5TQD, 2-hydroxysulfo-Benzoic acid, AC1L1OI1, AC1Q72VD, Sulfosalicylic Acid Solution, SCHEMBL34766, 4-11-00-00702 (Beilstein Handbook Reference), KSC657S8T, AC1Q72I2, DTXSID7059145, 2-oxidanyl-5-sulfo-benzoic acid, CTK5F7989, NSC4741, NSC-4741, ZINC1680376, ANW-43688, BBL008587, BDBM50219498, NSC190565, SBB008927, STK301570, AKOS000120294, MCULE-1452035534, NSC-190565, RL06092, RTR-020674, AC-11271, AJ-29603, AN-24444, BC201958, LS-144414, TL8006018, TR-020674, FT-0620777, S0137, S0830, ST45061279, T8327, C16199, A845677, I04-1663, I09-1302, W-100120, Z1235940936, 87148-02-5, InChI=1/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13, 5-Sulfosalicylsyre, 5-Sulfosalicylicacid, C7H6O6S, Meclocycline sulfosalicylate, CID7322, C7-H6-O6-S, AR-1E2467, 5965-83-3, Sulphosalicylic Acid Solution (reagent for fe-green blue to pale yellow) 100ml, 93398-55-1,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.989g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	218.179g/mol
Monoisotopic Mass	217.989g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	120A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

Lot Number