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116140-58-0 | 1,3-Propanedione, 1,3-diphenyl-2-(1-phenylethyl)-
CAS No: 116140-58-0 Catalog No: AG000BQ3 MDL No:
Product Description
Catalog Number:
AG000BQ3
Chemical Name:
1,3-Propanedione, 1,3-diphenyl-2-(1-phenylethyl)-
CAS Number:
116140-58-0
Molecular Formula:
C23H20O2
Molecular Weight:
328.4037
IUPAC Name:
1,3-diphenyl-2-(1-phenylethyl)propane-1,3-dione
InChI:
InChI=1S/C23H20O2/c1-17(18-11-5-2-6-12-18)21(22(24)19-13-7-3-8-14-19)23(25)20-15-9-4-10-16-20/h2-17,21H,1H3
InChI Key:
ULGQTBRDPIFGFO-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.146g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.411g/mol
Monoisotopic Mass:
328.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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