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199281-61-3 | 5,8-Quinolinedione, 4-phenyl-
CAS No: 199281-61-3 Catalog No: AG002C11 MDL No:
Product Description
Catalog Number:
AG002C11
Chemical Name:
5,8-Quinolinedione, 4-phenyl-
CAS Number:
199281-61-3
Molecular Formula:
C15H9NO2
Molecular Weight:
235.2375
IUPAC Name:
4-phenylquinoline-5,8-dione
InChI:
InChI=1S/C15H9NO2/c17-12-6-7-13(18)15-14(12)11(8-9-16-15)10-4-2-1-3-5-10/h1-9H
InChI Key:
CLXSIGUKIDGZFB-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1c(ccn2)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:
2.3
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