2-Sulfoterephthalic Acid - CAS 4991-22-4

Catalog:	BB026858
Product Name:	2-Sulfoterephthalic Acid
CAS:	4991-22-4
Synonyms:	2-sulfoterephthalic acid; 2-sulfoterephthalic acid

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Computed Properties

IUPAC Name:	2-sulfoterephthalic acid
Description:	2-Sulfoterephthalic Acid (CAS# 4991-22-4 ) is a useful research chemical.
Molecular Weight:	246.19
Molecular Formula:	C8H6O7S
Canonical SMILES:	C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O
InChI:	InChI=1S/C8H6O7S/c9-7(10)4-1-2-5(8(11)12)6(3-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
InChI Key:	RAADBCJYJHQQBI-UHFFFAOYSA-N
LogP:	1.41050

Publication Number	Title	Priority Date
CN-113480905-A	Leather coating with fluorescent response to benzene-series VOCs and preparation method thereof	20210804
CN-113433172-A	Preparation method of novel ammonia gas sensor based on MOFs (metal-organic frameworks) material	20210625
JP-2021091228-A	Polyester film	20210224
CN-112143433-A	Low-dielectric-constant adhesive and preparation method thereof	20201014
JP-2021000989-A	Automotive interior materials and their manufacturing methods	20200917

PMID	Publication Date	Title	Journal
22222995	20120307	Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M4(μ3-OH)2]6+ clusters (M = Co, Mn, Zn and Cd)	Dalton transactions (Cambridge, England : 2003)
21587760	20100626	(4-Carb-oxy-2-sulfonato-benzoato-κO,O)bis-(1,10-phenanthroline-κN,N')manganese(II)	Acta crystallographica. Section E, Structure reports online
21583419	20090722	Bis[4-(4-pyridyl)pyridinium] μ-4,4'-bipyridine-bis-[tetra-aqua-(4,4'-bipyridine)manganese(II)] bis-(5-sulfonatobenzene-1,3-dicarboxyl-ate) 4,4'-bipyridine solvate penta-deca-hydrate	Acta crystallographica. Section E, Structure reports online

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Complexity:	393
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.9834237
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	245.9834237
Rotatable Bond Count:	3
Topological Polar Surface Area:	137
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3