AG00IB8T

6362-79-4 | 1,3-Benzenedicarboxylic acid, 5-sulfo-, monosodium salt

AG00IB8T

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CAS Number	6362-79-4
Catalog Number	AG00IB8T(AGN-PC-0T9C2Y)
Chemical Name	1,3-Benzenedicarboxylic acid, 5-sulfo-, monosodium salt
EC Number	228-845-2
IUPAC Name	sodium;3,5-dicarboxybenzenesulfonate
InChI	InChI=1S/C8H6O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1
InChI Key	YXTFRJVQOWZDPP-UHFFFAOYSA-M
MDL Number	MFCD00007495
Molecular Formula	C8H5NaO7S
Molecular Weight	268.1759
SMILES	O=S(C1=CC(C(O)=O)=CC(C(O)=O)=C1)([O-])=O.[Na+]
UNII	5I79J6MURZ
Synonyms	sodium 3,5-dicarboxybenzenesulfonate, 6362-79-4, 5-Sulfoisophthalic Acid Monosodium Salt, Sodium 5-Sulfoisophthalate, UNII-5I79J6MURZ, Monosodium 5-sulfoisophthalate, 3,5-Dicarboxybenzenesulfonic acid, sodium salt, Sodium hydrogen-5-sulphoisophthalate, EINECS 228-845-2, 5I79J6MURZ, 1,3-Benzenedicarboxylic acid, 5-sulfo-, monosodium salt, 3,5-Dikarboxybenzensulfonan sodny [Czech], Isophthalic acid, 5-sulfo-, monosodium salt, Kyselina 3,5-dikarboxybenzensulfonova sodny [Czech], Benzene-1,3-dicarboxylic acid, 5-sulfo-, monosodium salt, sodium 3-carboxy-5-sulfobenzoate, 1,3-Benzenedicarboxylic acid, 5-sulfo-, sodium salt (1:1), AK114567, MFCD00007495, Benzenesulfonic acid, 3,5-dicarboxy-, sodium salt, W-104892, 3,5-Dikarboxybenzensulfonan sodny, Kyselina 3,5-dikarboxybenzensulfonova sodny, C8H5NaO7S, DSSTox_CID_9279, EC 228-845-2, AC1Q1W1V, DSSTox_RID_78744, DSSTox_GSID_29279, CHEMBL3560997, DTXSID9029279, CTK5G7289, KS-00000FBO, Tox21_200715, AKOS015894368, AKOS015963289, potassium 3,5-dicarboxybenzenesulfonate, VZ35681, NCGC00258269-01, 5-SULFOISOPHTHALIC ACID, Na, TECH, AC-12231, AS-14124, K003, LS-31852, 5-Sulfoisophthalic acid sodium salt, 95%, CAS-6362-79-4, AX8107381, FT-0620776, S0148, ST24031635, 3,5-Dicarboxybenzenesulfonic acid sodium salt, 5-SULPHOISOPHTHALIC ACID MONOSODIUM SALT, A845355, I04-9707, 5-Sulfo-1,3-benzenedicarboxylic acid monosodium salt, 90021-69-5, C8H5O7S.Na, C8H6O7S.Na, C8-H6-O7-S.Na, Monosodium 5-sulphoisophthalate, 5-Sulfoisophthalicacidmonosodiumsalt, CID80713, AR-1L4744, 5-Sulfoisophthalic acid monosodium salt, 95% 100g, 5-Sulfo-1,3-benzenedicarboxylic acid, monosodium salt, 5-Sulfoisophthalic acid monosodium salt, 95% - 100G 100g, 95635-55-5,

Complexity	377
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.965g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	268.171g/mol
Monoisotopic Mass	267.965g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	140A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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