2,3,4-Trimethylbenzenesulfonic Acid - CAS 28987-67-9

Catalog:	BB020037
Product Name:	2,3,4-Trimethylbenzenesulfonic Acid
CAS:	28987-67-9
Synonyms:	2,3,4-trimethylbenzenesulfonic acid; 2,3,4-trimethylbenzenesulfonic acid

Technical Data

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Computed Properties

IUPAC Name:	2,3,4-trimethylbenzenesulfonic acid
Description:	2,3,4-Trimethylbenzenesulfonic Acid (CAS# 28987-67-9 ) is a useful research chemical.
Molecular Weight:	200.25
Molecular Formula:	C9H12O3S
Canonical SMILES:	CC1=C(C(=C(C=C1)S(=O)(=O)O)C)C
InChI:	InChI=1S/C9H12O3S/c1-6-4-5-9(13(10,11)12)8(3)7(6)2/h4-5H,1-3H3,(H,10,11,12)
InChI Key:	XNJVIJQATFJERB-UHFFFAOYSA-N
LogP:	2.93930

Publication Number	Title	Priority Date
CN-214416405-U	A iodination reaction unit for vitamin E production	20201208
JP-2020036050-A	Non-aqueous lithium storage element	20191210
WO-2020224568-A1	Cdk inhibitors	20190505
TW-202104391-A	Liquid alignment material for photoalignment, alignment material and retardation material	20190308
WO-2020163193-A1	Bicyclic ether o-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20190204

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Related Functional Groups

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Complexity:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.05071541
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.05071541
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8