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146830-22-0 | 5,8-Quinolinedione, 2-phenyl-
CAS No: 146830-22-0 Catalog No: AG001ED3 MDL No:
Product Description
Catalog Number:
AG001ED3
Chemical Name:
5,8-Quinolinedione, 2-phenyl-
CAS Number:
146830-22-0
Molecular Formula:
C15H9NO2
Molecular Weight:
235.2375
IUPAC Name:
2-phenylquinoline-5,8-dione
InChI:
InChI=1S/C15H9NO2/c17-13-8-9-14(18)15-11(13)6-7-12(16-15)10-4-2-1-3-5-10/h1-9H
InChI Key:
DUEZCRDGVOANPB-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1nc(cc2)c1ccccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.242g/mol
Monoisotopic Mass:
235.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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