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20602-43-1 | 1,14-Dioxacyclohexacosane-2,15-dione, 13,26-dihexyl-
CAS No: 20602-43-1 Catalog No: AG002AHK MDL No:
Product Description
Catalog Number:
AG002AHK
Chemical Name:
1,14-Dioxacyclohexacosane-2,15-dione, 13,26-dihexyl-
CAS Number:
20602-43-1
Molecular Formula:
C36H68O4
Molecular Weight:
564.9227
IUPAC Name:
13,26-dihexyl-1,14-dioxacyclohexacosane-2,15-dione
InChI:
InChI=1S/C36H68O4/c1-3-5-7-21-27-33-29-23-17-13-9-11-16-20-26-32-36(38)40-34(28-22-8-6-4-2)30-24-18-14-10-12-15-19-25-31-35(37)39-33/h33-34H,3-32H2,1-2H3
InChI Key:
GUXJOCNDAOVARL-UHFFFAOYSA-N
SMILES:
CCCCCCC1CCCCCCCCCCC(=O)OC(CCCCCCCCCCC(=O)O1)CCCCCC
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.512g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
564.936g/mol
Monoisotopic Mass:
564.512g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
14.2
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