(Z)-9-DODECEN-1-OL ACETATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AWM7282GA1
EPA CompTox DTXSID6035524

Structure

InChI Key MFFQOUCMBNXSBK-PLNGDYQASA-N
Smiles CCC=C/CCCCCCCCOC(C)=O
InChI
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,6-13H2,1-2H3/b5-4-

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H26O2
Molecular Weight 226.19
AlogP 4.25
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 16974-11-1
NORMAN SUSDAT
FDA SRS AWM7282GA1
PubChem 5363405
ChemSpider 4515759.0
CONTENTS