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18777-53-2 | Benzenesulfonic acid, 4-(1-methylundecyl)-
CAS No: 18777-53-2 Catalog No: AG002GHC MDL No:
Product Description
Catalog Number:
AG002GHC
Chemical Name:
Benzenesulfonic acid, 4-(1-methylundecyl)-
CAS Number:
18777-53-2
Molecular Formula:
C18H30O3S
Molecular Weight:
326.4940
IUPAC Name:
4-dodecan-2-ylbenzenesulfonic acid
InChI:
InChI=1S/C18H30O3S/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)
InChI Key:
CJTZDYDOPZRFTF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.192g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.495g/mol
Monoisotopic Mass:
326.192g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| Thermodynamics of micelle formation of the counterion coupled gemini surfactant Bis(4-(2-dodecyl)benzenesulfonate)-Jeffamine salt and its dynamic adsorption on sandstone. | The journal of physical chemistry. B 20081204 |
| Bioaccumulation and toxicity of 4-nonylphenol (4-NP) and 4-(2-dodecyl)-benzene sulfonate (LAS) in Lumbriculus variegatus (Oligochaeta) and Chironomus riparius (Insecta). | Aquatic toxicology (Amsterdam, Netherlands) 20060510 |
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