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87863-50-1 | Benzo[g]quinoline-3,4,5,10-tetrone, 1,2-dihydro-
CAS No: 87863-50-1 Catalog No: AG004EE8 MDL No:
Product Description
Catalog Number:
AG004EE8
Chemical Name:
Benzo[g]quinoline-3,4,5,10-tetrone, 1,2-dihydro-
CAS Number:
87863-50-1
Molecular Formula:
C13H7NO4
Molecular Weight:
241.1990
IUPAC Name:
5-hydroxy-2H-benzo[g]quinoline-3,4,10-trione
InChI:
InChI=1S/C13H7NO4/c15-8-5-14-10-9(13(8)18)11(16)6-3-1-2-4-7(6)12(10)17/h1-4,16H,5H2
InChI Key:
VAJFKOFDAYWALE-UHFFFAOYSA-N
SMILES:
O=C1CNC2=C(C1=O)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.202g/mol
Monoisotopic Mass:
241.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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