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149537-98-4 | 2-Naphthalenesulfonic acid, 5,8-dinonyl-
CAS No: 149537-98-4 Catalog No: AG001LSR MDL No:
Product Description
Catalog Number:
AG001LSR
Chemical Name:
2-Naphthalenesulfonic acid, 5,8-dinonyl-
CAS Number:
149537-98-4
Molecular Formula:
C28H44O3S
Molecular Weight:
460.7122
IUPAC Name:
5,8-di(nonyl)naphthalene-2-sulfonic acid
InChI:
InChI=1S/C28H44O3S/c1-3-5-7-9-11-13-15-17-24-19-20-25(18-16-14-12-10-8-6-4-2)28-23-26(32(29,30)31)21-22-27(24)28/h19-23H,3-18H2,1-2H3,(H,29,30,31)
InChI Key:
XYDSNQKUHCTLGA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc(c2c1cc(cc2)S(=O)(=O)O)CCCCCCCCC
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.301g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
460.717g/mol
Monoisotopic Mass:
460.301g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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