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887594-38-9,MFCD07782227
Catalog No.:AA01F2ZX

887594-38-9 | Acetic acid-4-hydroxy-2-methyl-5-((E)-nonadec-14-enyl)-3,6-dioxo-cyclohexa-1,4-dienyl ester

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Technical Information
Catalog Number:
AA01F2ZX
Chemical Name:
Acetic acid-4-hydroxy-2-methyl-5-((E)-nonadec-14-enyl)-3,6-dioxo-cyclohexa-1,4-dienyl ester
CAS Number:
887594-38-9
Molecular Formula:
C28H44O5
Molecular Weight:
460.6460
MDL Number:
MFCD07782227
SMILES:
CCCC/C=C/CCCCCCCCCCCCCC1=C(O)C(=O)C(=C(C1=O)OC(=O)C)C
Properties
Computed Properties
 
Complexity:
727  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
19  
XLogP3:
9.3  

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SDS
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Tags:887594-38-9 Molecular Formula|887594-38-9 MDL|887594-38-9 SMILES|887594-38-9 Acetic acid-4-hydroxy-2-methyl-5-((E)-nonadec-14-enyl)-3,6-dioxo-cyclohexa-1,4-dienyl ester