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86955-03-5 | Benzene, 1,1'-[1,3-propanediylbis(oxy)]bis[2-(phenylmethoxy)-
CAS No: 86955-03-5 Catalog No: AG004L4E MDL No:
Product Description
Catalog Number:
AG004L4E
Chemical Name:
Benzene, 1,1'-[1,3-propanediylbis(oxy)]bis[2-(phenylmethoxy)-
CAS Number:
86955-03-5
Molecular Formula:
C29H28O4
Molecular Weight:
440.5302
IUPAC Name:
1-phenylmethoxy-2-[3-(2-phenylmethoxyphenoxy)propoxy]benzene
InChI:
InChI=1S/C29H28O4/c1-3-12-24(13-4-1)22-32-28-18-9-7-16-26(28)30-20-11-21-31-27-17-8-10-19-29(27)33-23-25-14-5-2-6-15-25/h1-10,12-19H,11,20-23H2
InChI Key:
YJXFZIYFICBQCK-UHFFFAOYSA-N
SMILES:
C(COc1ccccc1OCc1ccccc1)COc1ccccc1OCc1ccccc1
Properties
Complexity:
456
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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