sodium p-xylenesulfonate

sodium p-xylenesulfonate

CAS: 827-19-0

Formula: C8H9NaO3S

SMILES: CC1=CC=C(C)C(=C1)S(=O)(=O)O[Na]

IUPAC: sodium 2,5-dimethylbenzene-1-sulfonate

InChI: InChI=1S/C8H10O3S.Na/c1-6-3-4-7(2)8(5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1

Composition: C (46.15%), H (4.36%), Na (11.04%), O (23.05%), S (15.40%)

Molar Mass: 208.21

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.0170096
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SDCULNUHRZODAC-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	45.55
Topological Polar Surface Area	43.37
Polarizability	20.37
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<7 Days	827-19-0		$26.18-$123.42$26.18$123.42