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30776-59-1 | Benzenesulfonic acid, tetradecyl-
CAS No: 30776-59-1 Catalog No: AG00319C MDL No:
Product Description
Catalog Number:
AG00319C
Chemical Name:
Benzenesulfonic acid, tetradecyl-
CAS Number:
30776-59-1
Molecular Formula:
C20H34O3S
Molecular Weight:
354.5472
IUPAC Name:
2-tetradecylbenzenesulfonic acid
InChI:
InChI=1S/C20H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)24(21,22)23/h14-15,17-18H,2-13,16H2,1H3,(H,21,22,23)
InChI Key:
UNYKBGSYYHWZCB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCc1ccccc1S(=O)(=O)O
UNII:
A3E9972ZCT
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.223g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.549g/mol
Monoisotopic Mass:
354.223g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
Literature
| Title | Journal |
|---|---|
| Anaerobic digestion of linear alkyl benzene sulfonates: biodegradation kinetics and metabolite analysis. | Chemosphere 20050901 |
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