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calcium lignosulfon-ate(CAS No. 8061-52-7)

calcium lignosulfon-ate C20H24CaO10S2 (cas 8061-52-7) Molecular Structure

8061-52-7 Structure

Identification and Related Records

【Name】
calcium lignosulfon-ate
【CAS Registry number】
8061-52-7
【Synonyms】
lignosulfonic acid, calcium salt
【Molecular Formula】
C20H24CaO10S2 (Products with the same molecular formula)
【Molecular Weight】
528.60656
【Inchi】
InChI=1S/C20H26O10S2.Ca/c1-28-18-7-3-6-15(20(18)21)12-16(13-32(25,26)27)30-17-9-8-14(11-19(17)29-2)5-4-10-31(22,23)24;/h3,6-9,11,16,21H,4-5,10,12-13H2,1-2H3,(H,22,23,24)(H,25,26,27);/q;+2/p-2
【InChIKey】
RYAGRZNBULDMBW-UHFFFAOYSA-L
【Canonical SMILES】
COC1=CC=CC(=C1O)CC(CS(=O)(=O)[O-])OC2=C(C=C(C=C2)CCCS(=O)(=O)[O-])OC.[Ca+2]

Chemical and Physical Properties

【Appearance】
yellow powder
【Water】
water: soluble
【Solubilities】
water: soluble
【Stability】
Stable. Incompatible with strong oxidizing agents.
【Computed Properties】
Molecular Weight:528.60656 [g/mol]
Molecular Formula:C20H24CaO10S2
H-Bond Donor:1
H-Bond Acceptor:10
Rotatable Bond Count:10
Tautomer Count:3
Exact Mass:528.04368
MonoIsotopic Mass:528.04368
Topological Polar Surface Area:179
Heavy Atom Count:33
Formal Charge:0
Complexity:732
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Safety】

WGK Germany: 1

【Specification】

?Calcium lignosulfonate (CAS NO.8061-52-7) is also named as Caswell No. 146 ; EPA Pesticide Chemical Code 115101 ; Lignin calcium sulfonate ; Lignosulfonic acid, calcium salt ; Lime fractionated, spent pulping liquor, precipitate ; UNII-33T2H9O73P .?Calcium lignosulfonate (CAS NO.8061-52-7) is yellow powder.?It is stable and incompatible with strong oxidizing agents. It?has slightly acidic.

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