9,12-Octadecadienoic acid (9Z,12Z)-, 2-hydroxy-1,3-propanediyl ester


Chemical Name: 9,12-Octadecadienoic acid (9Z,12Z)-, 2-hydroxy-1,3-propanediyl ester
CAS Number: 15818-46-9
Product Number: AG001Q1N(AGN-PC-0Q7ENI)
Synonyms:
MDL No: MFCD00056310
Molecular Formula: C39H68O5
Molecular Weight: 616.9542

Identification/Properties


Computed Properties
Molecular Weight:
616.968g/mol
XLogP3:
13
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
34
Exact Mass:
616.507g/mol
Monoisotopic Mass:
616.507g/mol
Topological Polar Surface Area:
72.8A^2
Heavy Atom Count:
44
Formal Charge:
0
Complexity:
690
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

Safety Information


NMR Spectrum


Other Analytical Data


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