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1585-03-1 | 1,5-Pentanedione, 2,4-dimethyl-1,5-diphenyl-
CAS No: 1585-03-1 Catalog No: AG001Q8N MDL No:
Product Description
Catalog Number:
AG001Q8N
Chemical Name:
1,5-Pentanedione, 2,4-dimethyl-1,5-diphenyl-
CAS Number:
1585-03-1
Molecular Formula:
C19H20O2
Molecular Weight:
280.3609
IUPAC Name:
2,4-dimethyl-1,5-diphenylpentane-1,5-dione
InChI:
InChI=1S/C19H20O2/c1-14(18(20)16-9-5-3-6-10-16)13-15(2)19(21)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3
InChI Key:
LAAOMAJJNYSLQH-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccccc1)CC(C(=O)c1ccccc1)C
Properties
Complexity:
315
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:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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