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920986-51-2 | Benzoic acid, 4-(1,2-dihydro-2-oxo-4-quinolinyl)-, ethyl ester
CAS No: 920986-51-2 Catalog No: AG0066XG MDL No:
Product Description
Catalog Number:
AG0066XG
Chemical Name:
Benzoic acid, 4-(1,2-dihydro-2-oxo-4-quinolinyl)-, ethyl ester
CAS Number:
920986-51-2
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
IUPAC Name:
ethyl 4-(2-oxo-1H-quinolin-4-yl)benzoate
InChI:
InChI=1S/C18H15NO3/c1-2-22-18(21)13-9-7-12(8-10-13)15-11-17(20)19-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,19,20)
InChI Key:
SHRSCPLUTLEKQG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1cc(=O)[nH]c2c1cccc2
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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