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798557-88-7 | Undecanamide, 11,11'-[1,2-phenylenebis(oxy)]bis[N-dodecyl-
CAS No: 798557-88-7 Catalog No: AG004ZNP MDL No:
Product Description
Catalog Number:
AG004ZNP
Chemical Name:
Undecanamide, 11,11'-[1,2-phenylenebis(oxy)]bis[N-dodecyl-
CAS Number:
798557-88-7
Molecular Formula:
C52H96N2O4
Molecular Weight:
813.3296
IUPAC Name:
N-dodecyl-11-[2-[11-(dodecylamino)-11-oxoundecoxy]phenoxy]undecanamide
InChI:
InChI=1S/C52H96N2O4/c1-3-5-7-9-11-13-17-23-29-37-45-53-51(55)43-33-27-21-15-19-25-31-39-47-57-49-41-35-36-42-50(49)58-48-40-32-26-20-16-22-28-34-44-52(56)54-46-38-30-24-18-14-12-10-8-6-4-2/h35-36,41-42H,3-34,37-40,43-48H2,1-2H3,(H,53,55)(H,54,56)
InChI Key:
JGCHWOYBXAOKOV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=O)CCCCCCCCCCOc1ccccc1OCCCCCCCCCCC(=O)NCCCCCCCCCCCC
Properties
Complexity:
785
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
812.737g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
813.35g/mol
Monoisotopic Mass:
812.737g/mol
Rotatable Bond Count:
46
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19.1
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