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678988-17-5 | 4(1H)-Quinolinone, 3-benzoyl-
CAS No: 678988-17-5 Catalog No: AG006I7E MDL No:
Product Description
Catalog Number:
AG006I7E
Chemical Name:
4(1H)-Quinolinone, 3-benzoyl-
CAS Number:
678988-17-5
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
IUPAC Name:
3-benzoyl-1H-quinolin-4-one
InChI:
InChI=1S/C16H11NO2/c18-15(11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(14)16(13)19/h1-10H,(H,17,19)
InChI Key:
WNJRGBVVERKHJH-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c(c1=O)cccc2)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.269g/mol
Monoisotopic Mass:
249.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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