Acetic acid, (undecylthio)-


Chemical Name: Acetic acid, (undecylthio)-
CAS Number: 116296-31-2
Product Number: AG000C4F(AGN-PC-0LATC9)
Synonyms:
MDL No:
Molecular Formula: C13H26O2S
Molecular Weight: 246.4093

Identification/Properties


Computed Properties
Molecular Weight:
246.409g/mol
XLogP3:
5.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
12
Exact Mass:
246.165g/mol
Monoisotopic Mass:
246.165g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
160
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:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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