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130727-43-4 | 3,6,9,12,15-Pentaoxahexacosan-1-ol, 26-mercapto-
CAS No: 130727-43-4 Catalog No: AG000UVL MDL No:
Product Description
Catalog Number:
AG000UVL
Chemical Name:
3,6,9,12,15-Pentaoxahexacosan-1-ol, 26-mercapto-
CAS Number:
130727-43-4
Molecular Formula:
C21H44O6S
Molecular Weight:
424.6355
IUPAC Name:
2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
InChI:
InChI=1S/C21H44O6S/c22-10-12-24-14-16-26-18-20-27-19-17-25-15-13-23-11-8-6-4-2-1-3-5-7-9-21-28/h22,28H,1-21H2
InChI Key:
XJFGLYVNPFGEPW-UHFFFAOYSA-N
SMILES:
SCCCCCCCCCCCOCCOCCOCCOCCOCCO
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.286g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.637g/mol
Monoisotopic Mass:
424.286g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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