Home Other Building Blocks 1,3-Diphenylpropane-1,2,3-trione

1,3-Diphenylpropane-1,2,3-trione

CAS No.:
643-75-4
Catalog Number:
AG003DL2
Molecular Formula:
C15H10O3
Molecular Weight:
238.2381
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Product Description
Catalog Number:
AG003DL2
Chemical Name:
1,3-Diphenylpropane-1,2,3-trione
CAS Number:
643-75-4
Molecular Formula:
C15H10O3
Molecular Weight:
238.2381
MDL Number:
MFCD00191426
IUPAC Name:
1,3-diphenylpropane-1,2,3-trione
InChI:
InChI=1S/C15H10O3/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10H
InChI Key:
RXVBJUZEFSAYPW-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1ccccc1)C(=O)c1ccccc1
NSC Number:
11904
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.063g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.242g/mol
Monoisotopic Mass:
238.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Mechanistic studies of the O2-dependent aliphatic carbon-carbon bond cleavage reaction of a nickel enolate complex. Inorganic chemistry 20110207
Properties