SODIUM 12-HYDROXYOCTADECANOATE

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form

Structure

InChI Key NTVDGBKMGBRCKB-UHFFFAOYSA-M
Smiles [Na+].CCCCCCC(O)CCCCCCCCCCC(=O)[O-]
InChI
InChI=1/C18H36O3.Na/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H35NaO3
Molecular Weight 322.25
AlogP 0.97
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 60.36
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 13329-67-4
NORMAN SUSDAT
CONTENTS