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162521-29-1 | 1,3-Propanedione, 2-butyl-1,3-diphenyl-
CAS No: 162521-29-1 Catalog No: AG001T7Y MDL No:
Product Description
Catalog Number:
AG001T7Y
Chemical Name:
1,3-Propanedione, 2-butyl-1,3-diphenyl-
CAS Number:
162521-29-1
Molecular Formula:
C19H20O2
Molecular Weight:
280.3609
IUPAC Name:
2-butyl-1,3-diphenylpropane-1,3-dione
InChI:
InChI=1S/C19H20O2/c1-2-3-14-17(18(20)15-10-6-4-7-11-15)19(21)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChI Key:
ICFRVXBXPFMEST-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.146g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.367g/mol
Monoisotopic Mass:
280.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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