Sodium Xylene Sulphonate 40% Solution

CAT: 1507-2538B 00500Size: 500 mLDry Ice: NoHazardous: No

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CAT#:1507-2538B 00500Size:500 mL

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CAS Number

1300-72-7

HSN Code

29041090

Chemical Information

Sodium Xylenesulfonate

Xylenesulfonic acid, sodium salt is an odorless white crystalline powder. (NTP, 1992)

CAS Number	1300-72-7
PubChem CID	23668192
IUPAC Name	sodium 3,4-dimethylbenzenesulfonate
Molecular Formula	C8H9NaO3S
Molecular Weight	208.21
Topological Polar Surface Area	65.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	245

SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.[Na+]

InChI

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

InChIKey

QUCDWLYKDRVKMI-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1300-72-7

CID: 23668192

Formula: C8H9NaO3S

MW: 208.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.21
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	208.01700960
Monoisotopic Mass	208.01700960
Topological Polar Surface Area	65.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	245
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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