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Home > Other Building Blocks > 139417-71-3
139417-71-3 | 1-Hexadecanol, 16-[bis(4-methoxyphenyl)phenylmethoxy]-
CAS No: 139417-71-3 Catalog No: AG001B04 MDL No:
Product Description
Catalog Number:
AG001B04
Chemical Name:
1-Hexadecanol, 16-[bis(4-methoxyphenyl)phenylmethoxy]-
CAS Number:
139417-71-3
Molecular Formula:
C37H52O4
Molecular Weight:
560.8064
IUPAC Name:
16-[bis(4-methoxyphenyl)-phenylmethoxy]hexadecan-1-ol
InChI:
InChI=1S/C37H52O4/c1-39-35-26-22-33(23-27-35)37(32-20-16-15-17-21-32,34-24-28-36(40-2)29-25-34)41-31-19-14-12-10-8-6-4-3-5-7-9-11-13-18-30-38/h15-17,20-29,38H,3-14,18-19,30-31H2,1-2H3
InChI Key:
YDGOHPASCGWJIY-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCCCCOC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
560.387g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
560.819g/mol
Monoisotopic Mass:
560.387g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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