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10160-10-8 | 1,3-Dioxane, 5-(hexadecyloxy)-2-phenyl-, trans-
CAS No: 10160-10-8 Catalog No: AG0004XY MDL No:
Product Description
Catalog Number:
AG0004XY
Chemical Name:
1,3-Dioxane, 5-(hexadecyloxy)-2-phenyl-, trans-
CAS Number:
10160-10-8
Molecular Formula:
C26H44O3
Molecular Weight:
404.6258
IUPAC Name:
5-hexadecoxy-2-phenyl-1,3-dioxane
InChI:
InChI=1S/C26H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27-25-22-28-26(29-23-25)24-19-16-15-17-20-24/h15-17,19-20,25-26H,2-14,18,21-23H2,1H3
InChI Key:
NWKZTJFFZVVSFU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCO[C@@H]1CO[C@H](OC1)c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.329g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.635g/mol
Monoisotopic Mass:
404.329g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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