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121586-89-8 | 1,3-Propanedione, 1-(4'-hexyl[1,1'-biphenyl]-4-yl)-3-phenyl-
CAS No: 121586-89-8 Catalog No: AG0015CC MDL No:
Product Description
Catalog Number:
AG0015CC
Chemical Name:
1,3-Propanedione, 1-(4'-hexyl[1,1'-biphenyl]-4-yl)-3-phenyl-
CAS Number:
121586-89-8
Molecular Formula:
C27H28O2
Molecular Weight:
384.5100
IUPAC Name:
1-[4-(4-hexylphenyl)phenyl]-3-phenylpropane-1,3-dione
InChI:
InChI=1S/C27H28O2/c1-2-3-4-6-9-21-12-14-22(15-13-21)23-16-18-25(19-17-23)27(29)20-26(28)24-10-7-5-8-11-24/h5,7-8,10-19H,2-4,6,9,20H2,1H3
InChI Key:
SLTMBWZXLCRZMZ-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)CC(=O)c1ccccc1
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.209g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.519g/mol
Monoisotopic Mass:
384.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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