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81276-03-1,MFCD00132918
Catalog No.:AA008MMO

81276-03-1 | 5,8,11-Tridecatrienoic acid, 13-(3-pentyloxiranyl)-

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Technical Information
Catalog Number:
AA008MMO
Chemical Name:
5,8,11-Tridecatrienoic acid, 13-(3-pentyloxiranyl)-
CAS Number:
81276-03-1
Molecular Formula:
C20H32O3
Molecular Weight:
320.4663
MDL Number:
MFCD00132918
SMILES:
CCCCCC1OC1CC=CCC=CCC=CCCCC(=O)O
Properties
Computed Properties
 
Complexity:
396  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
14  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
3  
XLogP3:
5.3  

Literature
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SDS
Tags:81276-03-1 Molecular Formula|81276-03-1 MDL|81276-03-1 SMILES|81276-03-1 5,8,11-Tridecatrienoic acid, 13-(3-pentyloxiranyl)-