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557-58-4,MFCD00210569
Catalog No.:AA00DANL

557-58-4 | (E)-octadec-11-en-9-ynoic acid

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5mg
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$400.00   $280.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00DANL
Chemical Name:
(E)-octadec-11-en-9-ynoic acid
CAS Number:
557-58-4
Molecular Formula:
C18H30O2
Molecular Weight:
278.4296
MDL Number:
MFCD00210569
SMILES:
CCCCCC/C=C/C#CCCCCCCCC(=O)O
NSC Number:
252625
Properties
Computed Properties
 
Complexity:
317  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
12  
XLogP3:
6.6  

Literature

Title: Novel halo-oxo-allenic fatty ester derivatives from epoxidized methyl santalbate (methyl trans-11-octadecen-9-ynoate).

Journal: Chemistry and physics of lipids 20031001

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Tags:557-58-4 Molecular Formula|557-58-4 MDL|557-58-4 SMILES|557-58-4 (E)-octadec-11-en-9-ynoic acid