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168482-44-8 | 9,12-Octadecadienoic acid (9Z,12Z)-, 3-[(14,16-dimethyl-1-oxooctadecyl)oxy]-2-hydroxypropyl ester (9CI)
CAS No: 168482-44-8 Catalog No: AG001Y32 MDL No:
Product Description
Catalog Number:
AG001Y32
Chemical Name:
9,12-Octadecadienoic acid (9Z,12Z)-, 3-[(14,16-dimethyl-1-oxooctadecyl)oxy]-2-hydroxypropyl ester (9CI)
CAS Number:
168482-44-8
IUPAC Name:
(2-hydroxy-3-octadeca-9,12-dienoyloxypropyl) 14,16-dimethyloctadecanoate
InChI:
InChI=1S/C41H76O5/c1-5-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-40(43)45-35-39(42)36-46-41(44)33-30-27-24-21-18-17-19-22-25-28-31-38(4)34-37(3)6-2/h10-11,13-14,37-39,42H,5-9,12,15-36H2,1-4H3
InChI Key:
WFTOOGFFSZCCNW-UHFFFAOYSA-N
Properties
Complexity:
730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
648.569g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
649.054g/mol
Monoisotopic Mass:
648.569g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
2
XLogP3:
15.1
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