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308818-10-2 | 1-Butanesulfonic acid, 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]-
CAS No: 308818-10-2 Catalog No: AG0031KF MDL No:
Product Description
Catalog Number:
AG0031KF
Chemical Name:
1-Butanesulfonic acid, 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]-
CAS Number:
308818-10-2
Molecular Formula:
C20H40O6S
Molecular Weight:
408.5930
IUPAC Name:
4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]butane-1-sulfonic acid
InChI:
InChI=1S/C20H40O6S/c1-3-4-5-6-7-8-9-10-11-14-20(2)25-17-19(18-26-20)24-15-12-13-16-27(21,22)23/h19H,3-18H2,1-2H3,(H,21,22,23)
InChI Key:
DLWKDTARITUBJA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC1(C)OCC(CO1)OCCCCS(=O)(=O)O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.255g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.594g/mol
Monoisotopic Mass:
408.255g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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