(Z)-4-TRIDECENYL ACETATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 673O65NC3H
EPA CompTox DTXSID6035786

Structure

InChI Key DUCVQKMNGSZPAV-KHPPLWFESA-N
Smiles CCCCCCCCC=C/CCCOC(C)=O
InChI
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h10-11H,3-9,12-14H2,1-2H3/b11-10-

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H28O2
Molecular Weight 240.21
AlogP 4.64
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 26.3
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 65954-19-0
NORMAN SUSDAT
FDA SRS 673O65NC3H
CONTENTS