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827322-20-3 | Oxazolo[4,5-g]quinoline-4,9-dione, 2,8-diphenyl-, 5-oxide
CAS No: 827322-20-3 Catalog No: AG004UX1 MDL No:
Product Description
Catalog Number:
AG004UX1
Chemical Name:
Oxazolo[4,5-g]quinoline-4,9-dione, 2,8-diphenyl-, 5-oxide
CAS Number:
827322-20-3
Molecular Formula:
C22H12N2O4
Molecular Weight:
368.3417
IUPAC Name:
5-oxido-2,8-diphenyl-[1,3]oxazolo[4,5-g]quinolin-5-ium-4,9-dione
InChI:
InChI=1S/C22H12N2O4/c25-19-16-15(13-7-3-1-4-8-13)11-12-24(27)18(16)20(26)21-17(19)23-22(28-21)14-9-5-2-6-10-14/h1-12H
InChI Key:
MCULAKTYJFJHLL-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(c2c1C(=O)c1oc(nc1C2=O)c1ccccc1)c1ccccc1
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.08g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.348g/mol
Monoisotopic Mass:
368.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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