6-(8Z)-PENTADECENYLSALICYLIC ACID

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Keyword(s): Natural Toxins
Molecule Category Free-form
EPA CompTox DTXSID50872875

Structure

InChI Key YXHVCZZLWZYHSA-FPLPWBNLSA-N
Smiles CCCCCCC=C/CCCCCCCC1=C(C(O)=O)C(O)=CC=C1
InChI
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H34O3
Molecular Weight 346.25
AlogP 6.5
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 57.53
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 22910-60-7
NORMAN SUSDAT
PubChem 5281858
ChemSpider 4445152.0
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