5,8,11,14-Eicosatetraenoicacid, 2-oxo-2H-1-benzopyran-7-yl ester, (5Z,8Z,11Z,14Z)-


Chemical Name: 5,8,11,14-Eicosatetraenoicacid, 2-oxo-2H-1-benzopyran-7-yl ester, (5Z,8Z,11Z,14Z)-
CAS Number: 161180-11-6
Product Number: AG001S84(AGN-PC-0Q7ZU3)
Synonyms:
MDL No: MFCD00797670
Molecular Formula: C29H36O4
Molecular Weight: 448.5937

Identification/Properties


Computed Properties
Molecular Weight:
448.603g/mol
XLogP3:
8.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
16
Exact Mass:
448.261g/mol
Monoisotopic Mass:
448.261g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
713
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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