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31093-47-7 | Benzenesulfonic acid, decyl-
CAS No: 31093-47-7 Catalog No: AG003240 MDL No:
Product Description
Catalog Number:
AG003240
Chemical Name:
Benzenesulfonic acid, decyl-
CAS Number:
31093-47-7
Molecular Formula:
C16H26O3S
Molecular Weight:
298.4408
IUPAC Name:
2-decylbenzenesulfonic acid
InChI:
InChI=1S/C16H26O3S/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)20(17,18)19/h10-11,13-14H,2-9,12H2,1H3,(H,17,18,19)
InChI Key:
UAZLASMTBCLJKO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccccc1S(=O)(=O)O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.16g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.441g/mol
Monoisotopic Mass:
298.16g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| Amended safety assessment of dodecylbenzenesulfonate, decylbenzenesulfonate, and tridecylbenzenesulfonate salts as used in cosmetics. | International journal of toxicology 20100101 |
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