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101901-72-8 | 9,12-Octadecadienoic acid (9Z,12Z)-, 12-[(2-ethylhexyl)oxy]-1-hexyl-12-oxododecyl ester (9CI)
CAS No: 101901-72-8 Catalog No: AG0005VM MDL No:
Product Description
Catalog Number:
AG0005VM
Chemical Name:
9,12-Octadecadienoic acid (9Z,12Z)-, 12-[(2-ethylhexyl)oxy]-1-hexyl-12-oxododecyl ester (9CI)
CAS Number:
101901-72-8
IUPAC Name:
2-ethylhexyl 12-octadeca-9,12-dienoyloxyoctadecanoate
InChI:
InChI=1S/C44H82O4/c1-5-9-12-14-15-16-17-18-19-20-21-22-27-30-34-39-44(46)48-42(36-31-13-10-6-2)37-32-28-25-23-24-26-29-33-38-43(45)47-40-41(8-4)35-11-7-3/h15-16,18-19,41-42H,5-14,17,20-40H2,1-4H3
InChI Key:
KOJBBXQLNBAYMZ-UHFFFAOYSA-N
Properties
Complexity:
742
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
674.621g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
675.136g/mol
Monoisotopic Mass:
674.621g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
17.1
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