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189124-39-8 | 4,5,8(1H)-Quinolinetrione
CAS No: 189124-39-8 Catalog No: AG002HWQ MDL No:
Product Description
Catalog Number:
AG002HWQ
Chemical Name:
4,5,8(1H)-Quinolinetrione
CAS Number:
189124-39-8
Molecular Formula:
C9H5NO3
Molecular Weight:
175.1409
IUPAC Name:
1H-quinoline-4,5,8-trione
InChI:
InChI=1S/C9H5NO3/c11-5-1-2-7(13)9-8(5)6(12)3-4-10-9/h1-4H,(H,10,12)
InChI Key:
BVKBVZANMOCBLE-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1c(=O)cc[nH]2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.143g/mol
Monoisotopic Mass:
175.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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