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727650-98-8 | 3(5H)-Quinolinone
CAS No: 727650-98-8 Catalog No: AG0061P9 MDL No:
Product Description
Catalog Number:
AG0061P9
Chemical Name:
3(5H)-Quinolinone
CAS Number:
727650-98-8
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
IUPAC Name:
5H-quinolin-3-one
InChI:
InChI=1S/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-2,4-6H,3H2
InChI Key:
BUYDAPBEKKVUQH-UHFFFAOYSA-N
SMILES:
O=C1C=NC2=CC=CCC2=C1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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