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15544-52-2 | 2,5,8(1H)-Quinolinetrione, 3,4-dihydro-
CAS No: 15544-52-2 Catalog No: AG001NXH MDL No:
Product Description
Catalog Number:
AG001NXH
Chemical Name:
2,5,8(1H)-Quinolinetrione, 3,4-dihydro-
CAS Number:
15544-52-2
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
3,4-dihydro-1H-quinoline-2,5,8-trione
InChI:
InChI=1S/C9H7NO3/c11-6-2-3-7(12)9-5(6)1-4-8(13)10-9/h2-3H,1,4H2,(H,10,13)
InChI Key:
KBQJDQNCORENFW-UHFFFAOYSA-N
SMILES:
O=C1CCC2=C(N1)C(=O)C=CC2=O
NSC Number:
109349
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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