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82562-00-3 | 2,4-Pentanedione, 3-(3-benzoylphenyl)-
CAS No: 82562-00-3 Catalog No: AG004YLM MDL No:
Product Description
Catalog Number:
AG004YLM
Chemical Name:
2,4-Pentanedione, 3-(3-benzoylphenyl)-
CAS Number:
82562-00-3
Molecular Formula:
C18H16O3
Molecular Weight:
280.3178
IUPAC Name:
3-(3-benzoylphenyl)pentane-2,4-dione
InChI:
InChI=1S/C18H16O3/c1-12(19)17(13(2)20)15-9-6-10-16(11-15)18(21)14-7-4-3-5-8-14/h3-11,17H,1-2H3
InChI Key:
NYSDOTODQRZVMW-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C(=O)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.323g/mol
Monoisotopic Mass:
280.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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