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23531-54-6 | 3,8-Dioxa-2,4-disilaundecanesulfonic acid, 10-hydroxy-2,2,4-trimethyl-4-[(trimethylsilyl)oxy]-, sodium salt (1:1)
CAS No: 23531-54-6 Catalog No: AG002NLB MDL No:
Product Description
Catalog Number:
AG002NLB
Chemical Name:
3,8-Dioxa-2,4-disilaundecanesulfonic acid, 10-hydroxy-2,2,4-trimethyl-4-[(trimethylsilyl)oxy]-, sodium salt (1:1)
CAS Number:
23531-54-6
Molecular Formula:
C13H33NaO7SSi3
Molecular Weight:
440.7082
IUPAC Name:
sodium;2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propane-1-sulfonate
InChI:
InChI=1S/C13H34O7SSi3.Na/c1-22(2,3)19-24(7,20-23(4,5)6)10-8-9-18-11-13(14)12-21(15,16)17;/h13-14H,8-12H2,1-7H3,(H,15,16,17);/q;+1/p-1
InChI Key:
MRGYRDHLFUIMCN-UHFFFAOYSA-M
SMILES:
CC(COCCC[Si](O[Si](CS(=O)(=O)[O-])(C)C)(O[Si](C)(C)C)C)O.[Na+]
EC Number:
245-717-1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.115g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
440.705g/mol
Monoisotopic Mass:
440.115g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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