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88406-92-2 | 2-Butene-1,4-dione, 2-(4-methylphenyl)-1,4-diphenyl-
CAS No: 88406-92-2 Catalog No: AG004KZE MDL No:
Product Description
Catalog Number:
AG004KZE
Chemical Name:
2-Butene-1,4-dione, 2-(4-methylphenyl)-1,4-diphenyl-
CAS Number:
88406-92-2
Molecular Formula:
C23H18O2
Molecular Weight:
326.3878
IUPAC Name:
2-(4-methylphenyl)-1,4-diphenylbut-2-ene-1,4-dione
InChI:
InChI=1S/C23H18O2/c1-17-12-14-18(15-13-17)21(23(25)20-10-6-3-7-11-20)16-22(24)19-8-4-2-5-9-19/h2-16H,1H3
InChI Key:
AFZJOOPCYSFLDZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=CC(=O)c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.395g/mol
Monoisotopic Mass:
326.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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