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89764-72-7 | Benzene, 1-[3-[1-(4-ethoxyphenyl)cyclobutyl]propyl]-3-phenoxy-
CAS No: 89764-72-7 Catalog No: AG0040MG MDL No:
Product Description
Catalog Number:
AG0040MG
Chemical Name:
Benzene, 1-[3-[1-(4-ethoxyphenyl)cyclobutyl]propyl]-3-phenoxy-
CAS Number:
89764-72-7
Molecular Formula:
C27H30O2
Molecular Weight:
386.5259
IUPAC Name:
1-ethoxy-4-[1-[3-(3-phenoxyphenyl)propyl]cyclobutyl]benzene
InChI:
InChI=1S/C27H30O2/c1-2-28-24-16-14-23(15-17-24)27(19-8-20-27)18-7-10-22-9-6-13-26(21-22)29-25-11-4-3-5-12-25/h3-6,9,11-17,21H,2,7-8,10,18-20H2,1H3
InChI Key:
QELINKZXCWLMMH-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C1(CCCc2cccc(c2)Oc2ccccc2)CCC1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.225g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.535g/mol
Monoisotopic Mass:
386.225g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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