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80853-79-8 | 3-PHENOXYBENZYL 2-(4-PHENOXYPHENYL)-2-METHYLPROPYL ETHER
CAS No: 80853-79-8 Catalog No: AG00516N MDL No:
Product Description
Catalog Number:
AG00516N
Chemical Name:
3-PHENOXYBENZYL 2-(4-PHENOXYPHENYL)-2-METHYLPROPYL ETHER
CAS Number:
80853-79-8
Molecular Formula:
C29H28O3
Molecular Weight:
424.5308
IUPAC Name:
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene
InChI:
InChI=1S/C29H28O3/c1-29(2,24-16-18-27(19-17-24)31-25-11-5-3-6-12-25)22-30-21-23-10-9-15-28(20-23)32-26-13-7-4-8-14-26/h3-20H,21-22H2,1-2H3
InChI Key:
QJDSRVNJUVWIEG-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Oc1ccccc1)(COCc1cccc(c1)Oc1ccccc1)C
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.204g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.54g/mol
Monoisotopic Mass:
424.204g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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