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54289-77-9 | 3-acetyl-4-hydroxy-1-phenyl-1,2-dihydroquinolin-2-one
CAS No: 54289-77-9 Catalog No: AG00IQ0F MDL No:MFCD00179942
Product Description
Catalog Number:
AG00IQ0F
Chemical Name:
3-acetyl-4-hydroxy-1-phenyl-1,2-dihydroquinolin-2-one
CAS Number:
54289-77-9
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD00179942
IUPAC Name:
3-acetyl-4-hydroxy-1-phenylquinolin-2-one
InChI:
InChI=1S/C17H13NO3/c1-11(19)15-16(20)13-9-5-6-10-14(13)18(17(15)21)12-7-3-2-4-8-12/h2-10,20H,1H3
InChI Key:
HWDKBYHTAMXNTH-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(O)c2ccccc2n(c1=O)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:
2.9
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