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86955-47-7 | Benzene, 1,1'-[1,3-propanediylbis(oxy)]bis[4-(phenylmethoxy)-
CAS No: 86955-47-7 Catalog No: AG004L4D MDL No:
Product Description
Catalog Number:
AG004L4D
Chemical Name:
Benzene, 1,1'-[1,3-propanediylbis(oxy)]bis[4-(phenylmethoxy)-
CAS Number:
86955-47-7
Molecular Formula:
C29H28O4
Molecular Weight:
440.5302
IUPAC Name:
1-phenylmethoxy-4-[3-(4-phenylmethoxyphenoxy)propoxy]benzene
InChI:
InChI=1S/C29H28O4/c1-3-8-24(9-4-1)22-32-28-16-12-26(13-17-28)30-20-7-21-31-27-14-18-29(19-15-27)33-23-25-10-5-2-6-11-25/h1-6,8-19H,7,20-23H2
InChI Key:
QFXLLQFPHFCQGJ-UHFFFAOYSA-N
SMILES:
C(COc1ccc(cc1)OCc1ccccc1)COc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.199g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.539g/mol
Monoisotopic Mass:
440.199g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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