1-Hexadecanesulfonic acid sodium salt
Product Information
Molecular Formula
C16H33NaO3S
Molecular Weight
328.49
Description
1-Hexadecanesulfonic acid sodium salt (CAS# 15015-81-3 ) is a useful research chemical.
Synonyms
sodium;hexadecane-1-sulfonate
IUPAC Name
sodium;hexadecane-1-sulfonate
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C16H34O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1
InChI Key
PNGBYKXZVCIZRN-UHFFFAOYSA-M
Appearance
White to off-white flakes or powder
LogP
6.09370
Safety Information
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
15
Exact Mass
328.20481037 g/mol
Monoisotopic Mass
328.20481037 g/mol
Topological Polar Surface Area
65.6Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
286
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
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