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Home > Pyridines > 117330-68-4
117330-68-4 | 1-Octadecanesulfonic acid, compd. with pyridine (1:1)
CAS No: 117330-68-4 Catalog No: AG000E50 MDL No:
Product Description
Catalog Number:
AG000E50
Chemical Name:
1-Octadecanesulfonic acid, compd. with pyridine (1:1)
CAS Number:
117330-68-4
Molecular Formula:
C23H43NO3S
Molecular Weight:
413.6574
IUPAC Name:
octadecane-1-sulfonic acid;pyridine
InChI:
InChI=1S/C18H38O3S.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;1-2-4-6-5-3-1/h2-18H2,1H3,(H,19,20,21);1-5H
InChI Key:
KOOJMLMZQGBRRQ-UHFFFAOYSA-N
SMILES:
c1cccnc1.CCCCCCCCCCCCCCCCCCS(=O)(=O)O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.296g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.661g/mol
Monoisotopic Mass:
413.296g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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