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73281-64-8 | 2(1H)-Quinolinone, 3-benzoyl-4-hydroxy-1-methyl-
CAS No: 73281-64-8 Catalog No: AG005F87 MDL No:
Product Description
Catalog Number:
AG005F87
Chemical Name:
2(1H)-Quinolinone, 3-benzoyl-4-hydroxy-1-methyl-
CAS Number:
73281-64-8
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
IUPAC Name:
3-benzoyl-4-hydroxy-1-methylquinolin-2-one
InChI:
InChI=1S/C17H13NO3/c1-18-13-10-6-5-9-12(13)16(20)14(17(18)21)15(19)11-7-3-2-4-8-11/h2-10,20H,1H3
InChI Key:
ODRLTBZNZNZPAP-UHFFFAOYSA-N
SMILES:
O=C(c1c(O)c2ccccc2n(c1=O)C)c1ccccc1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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