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122315-04-2 | Benzene, 1,1'-(1,4-diphenyl-1,2,3-butatriene-1,4-diyl)bis[4-methoxy- (9CI)
CAS No: 122315-04-2 Catalog No: AG001731 MDL No:
Product Description
Catalog Number:
AG001731
Chemical Name:
Benzene, 1,1'-(1,4-diphenyl-1,2,3-butatriene-1,4-diyl)bis[4-methoxy- (9CI)
CAS Number:
122315-04-2
Molecular Formula:
C30H24O2
Molecular Weight:
416.5104
IUPAC Name:
1-methoxy-4-[4-(4-methoxyphenyl)-1,4-diphenylbuta-1,2,3-trienyl]benzene
InChI:
InChI=1S/C30H24O2/c1-31-27-17-13-25(14-18-27)29(23-9-5-3-6-10-23)21-22-30(24-11-7-4-8-12-24)26-15-19-28(32-2)20-16-26/h3-20H,1-2H3
InChI Key:
WTRUMXWUJYYNPC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=C=C=C(c1ccc(cc1)OC)c1ccccc1)c1ccccc1
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.178g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.52g/mol
Monoisotopic Mass:
416.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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