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115292-37-0 | 1,3-Dioxane, 5-(octadecyloxy)-2-phenyl-
CAS No: 115292-37-0 Catalog No: AG000GKH MDL No:
Product Description
Catalog Number:
AG000GKH
Chemical Name:
1,3-Dioxane, 5-(octadecyloxy)-2-phenyl-
CAS Number:
115292-37-0
Molecular Formula:
C28H48O3
Molecular Weight:
432.6789
IUPAC Name:
5-octadecoxy-2-phenyl-1,3-dioxane
InChI:
InChI=1S/C28H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-27-24-30-28(31-25-27)26-21-18-17-19-22-26/h17-19,21-22,27-28H,2-16,20,23-25H2,1H3
InChI Key:
UZOGFFPAZVQLHL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC1COC(OC1)c1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.36g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.689g/mol
Monoisotopic Mass:
432.36g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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