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828252-76-2 | 1-Naphthalenesulfonic acid, 2,4-dinonyl-
CAS No: 828252-76-2 Catalog No: AG004XLW MDL No:
Product Description
Catalog Number:
AG004XLW
Chemical Name:
1-Naphthalenesulfonic acid, 2,4-dinonyl-
CAS Number:
828252-76-2
Molecular Formula:
C28H44O3S
Molecular Weight:
460.7122
IUPAC Name:
2,4-di(nonyl)naphthalene-1-sulfonic acid
InChI:
InChI=1S/C28H44O3S/c1-3-5-7-9-11-13-15-19-24-23-25(20-16-14-12-10-8-6-4-2)28(32(29,30)31)27-22-18-17-21-26(24)27/h17-18,21-23H,3-16,19-20H2,1-2H3,(H,29,30,31)
InChI Key:
HCIDWWWVSQJXCM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1cc(CCCCCCCCC)c(c2c1cccc2)S(=O)(=O)O
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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