9,11,15-Octadecatrienoic acid, 13-hydroperoxy-, (9Z,11E,13S,15Z)-


Chemical Name: 9,11,15-Octadecatrienoic acid, 13-hydroperoxy-, (9Z,11E,13S,15Z)-
CAS Number: 67597-26-6
Product Number: AG00FBHX(AGN-PC-0OG7ZF)
Synonyms:
MDL No: MFCD00216122
Molecular Formula: C18H30O4
Molecular Weight: 310.4284

Identification/Properties


Computed Properties
Molecular Weight:
310.434g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
14
Exact Mass:
310.214g/mol
Monoisotopic Mass:
310.214g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
345
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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