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88109-76-6 | Benzenesulfonic acid, 5-methyl-2-tridecyl-
CAS No: 88109-76-6 Catalog No: AG004IS5 MDL No:
Product Description
Catalog Number:
AG004IS5
Chemical Name:
Benzenesulfonic acid, 5-methyl-2-tridecyl-
CAS Number:
88109-76-6
Molecular Formula:
C20H34O3S
Molecular Weight:
354.5472
IUPAC Name:
5-methyl-2-tridecylbenzenesulfonic acid
InChI:
InChI=1S/C20H34O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-16-15-18(2)17-20(19)24(21,22)23/h15-17H,3-14H2,1-2H3,(H,21,22,23)
InChI Key:
JJJJJLYCTYAIDU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCc1ccc(cc1S(=O)(=O)O)C
Properties
Complexity:
400
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:
13
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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