DODECENE-1-SULFONIC ACID, SODIUM SALT (C12 =/OHASO

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key INEXVHNZGZMSSV-UHFFFAOYSA-N
Smiles [Na+].CCCCCCCCCC/C=C/[S]([O-])(=O)=O
InChI
InChI=1S/C12H24O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h11-12H,2-10H2,1H3,(H,13,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O3S1
Molecular Weight 248.14
AlogP 3.92
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 54.37
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 30965-85-6
NORMAN SUSDAT
CONTENTS