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14606-82-7

14606-82-7 | 8,12,15-Octadecatrienoic acid, 10-hydroperoxy-, methyl ester

CAS No: 14606-82-7 Catalog No: AG001DND MDL No:

Product Description

Catalog Number:
AG001DND
Chemical Name:
8,12,15-Octadecatrienoic acid, 10-hydroperoxy-, methyl ester
CAS Number:
14606-82-7
Molecular Formula:
C19H32O4
Molecular Weight:
324.4550
IUPAC Name:
methyl 10-hydroperoxyoctadeca-8,12,15-trienoate
InChI:
InChI=1S/C19H32O4/c1-3-4-5-6-9-12-15-18(23-21)16-13-10-7-8-11-14-17-19(20)22-2/h4-5,9,12-13,16,18,21H,3,6-8,10-11,14-15,17H2,1-2H3
InChI Key:
JZABNNCYXIODDU-UHFFFAOYSA-N
SMILES:
CCC=CCC=CCC(C=CCCCCCCC(=O)OC)OO

Properties

Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.23g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
324.461g/mol
Monoisotopic Mass:
324.23g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
3  
XLogP3:
4.9  

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