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143747-72-2 | Triglycerol, dihexadecyl ether (9CI)
CAS No: 143747-72-2 Catalog No: AG001IB4 MDL No:
Product Description
Catalog Number:
AG001IB4
Chemical Name:
Triglycerol, dihexadecyl ether (9CI)
CAS Number:
143747-72-2
Molecular Formula:
C41H84O7
Molecular Weight:
689.1015
IUPAC Name:
3-[3-hexadecoxy-2-(3-hexadecoxy-2-hydroxypropoxy)propoxy]propane-1,2-diol
InChI:
InChI=1S/C41H84O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-45-35-40(44)36-48-41(38-47-34-39(43)33-42)37-46-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-44H,3-38H2,1-2H3
InChI Key:
FKFHBBZKFODURE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(COC(COCC(CO)O)COCCCCCCCCCCCCCCCC)O
EC Number:
411-450-6
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
688.622g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
689.116g/mol
Monoisotopic Mass:
688.622g/mol
Rotatable Bond Count:
42
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
13.3
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