AG003UDT

868858-48-4 | P-TOLUENESULFINIC ACID SODIUM SALT TETRAHYDRATE

AG003UDT

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CAS Number	868858-48-4
Catalog Number	AG003UDT(AGN-PC-0WG3JW)
Chemical Name	P-TOLUENESULFINIC ACID SODIUM SALT TETRAHYDRATE
IUPAC Name	sodium;4-methylbenzenesulfinate;tetrahydrate
InChI	InChI=1S/C7H8O2S.Na.4H2O/c1-6-2-4-7(5-3-6)10(8)9;;;;;/h2-5H,1H3,(H,8,9);;4*1H2/q;+1;;;;/p-1
InChI Key	MLPRYQZBDONMGJ-UHFFFAOYSA-M
MDL Number	MFCD00149642
Molecular Formula	C7H15NaO6S
Molecular Weight	250.2452
SMILES	CC1=CC=C(S([O-])=O)C=C1.[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Na+]
Synonyms	Sodium p-Toluenesulfinate Tetrahydrate, 868858-48-4, P-TOLUENESULFINIC ACID SODIUM SALT TETRAHYDRATE, ACMC-209qc4, C7H7O2S.Na.4H2O, CTK8B2493, DTXSID70635646, MLPRYQZBDONMGJ-UHFFFAOYSA-M, 7865AF, ANW-38402, MFCD00149644, TR-038069, 4-Toluenesulfinic Acid, Sodium Salt, Tetrahydrate, Sodium 4-methylbenzene-1-sulfinate--water (1/1/4), Sodium4-methylbenzenesulfinate, sodium toluene-4-sulphinate, SODIUM P-TOLUENESULFINATE, 824-79-3,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.049g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	250.241g/mol
Monoisotopic Mass	250.049g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number