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130317-99-6 | 1,5-Pentanedione, 3-(4-methylphenyl)-1,5-diphenyl-
CAS No: 130317-99-6 Catalog No: AG000U9Y MDL No:
Product Description
Catalog Number:
AG000U9Y
Chemical Name:
1,5-Pentanedione, 3-(4-methylphenyl)-1,5-diphenyl-
CAS Number:
130317-99-6
Molecular Formula:
C24H22O2
Molecular Weight:
342.4303
IUPAC Name:
3-(4-methylphenyl)-1,5-diphenylpentane-1,5-dione
InChI:
InChI=1S/C24H22O2/c1-18-12-14-19(15-13-18)22(16-23(25)20-8-4-2-5-9-20)17-24(26)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3
InChI Key:
UCOIOTCKMJTUDC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(c1ccc(cc1)C)CC(=O)c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.162g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.438g/mol
Monoisotopic Mass:
342.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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