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129005-67-0 | 2-Propen-1-one, 1,1'-(1,3-phenylene)bis[3-(4-methylphenyl)-
CAS No: 129005-67-0 Catalog No: AG000YS7 MDL No:
Product Description
Catalog Number:
AG000YS7
Chemical Name:
2-Propen-1-one, 1,1'-(1,3-phenylene)bis[3-(4-methylphenyl)-
CAS Number:
129005-67-0
Molecular Formula:
C26H22O2
Molecular Weight:
366.4517
IUPAC Name:
3-(4-methylphenyl)-1-[3-[3-(4-methylphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
InChI:
InChI=1S/C26H22O2/c1-19-6-10-21(11-7-19)14-16-25(27)23-4-3-5-24(18-23)26(28)17-15-22-12-8-20(2)9-13-22/h3-18H,1-2H3
InChI Key:
RHKNUQVWWWXZJP-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(=O)C=Cc1ccc(cc1)C)C=Cc1ccc(cc1)C
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.162g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.46g/mol
Monoisotopic Mass:
366.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.2
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