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84261-53-0 | 2,4(1H,3H)-Quinolinedione, 3-ethyl-3-hydroxy-1-phenyl-
CAS No: 84261-53-0 Catalog No: AG004YPO MDL No:
Product Description
Catalog Number:
AG004YPO
Chemical Name:
2,4(1H,3H)-Quinolinedione, 3-ethyl-3-hydroxy-1-phenyl-
CAS Number:
84261-53-0
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
3-ethyl-3-hydroxy-1-phenylquinoline-2,4-dione
InChI:
InChI=1S/C17H15NO3/c1-2-17(21)15(19)13-10-6-7-11-14(13)18(16(17)20)12-8-4-3-5-9-12/h3-11,21H,2H2,1H3
InChI Key:
GBXXQXFOMZJMDR-UHFFFAOYSA-N
SMILES:
CCC1(O)C(=O)c2ccccc2N(C1=O)c1ccccc1
NSC Number:
370924
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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