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827322-18-9 | Oxazolo[4,5-g]quinoline-4,9-dione, 8-phenyl-, 5-oxide
CAS No: 827322-18-9 Catalog No: AG004ZW5 MDL No:
Product Description
Catalog Number:
AG004ZW5
Chemical Name:
Oxazolo[4,5-g]quinoline-4,9-dione, 8-phenyl-, 5-oxide
CAS Number:
827322-18-9
Molecular Formula:
C16H8N2O4
Molecular Weight:
292.2457
IUPAC Name:
5-oxido-8-phenyl-[1,3]oxazolo[4,5-g]quinolin-5-ium-4,9-dione
InChI:
InChI=1S/C16H8N2O4/c19-14-11-10(9-4-2-1-3-5-9)6-7-18(21)13(11)15(20)16-12(14)17-8-22-16/h1-8H
InChI Key:
UJVLCGVHRFKJPX-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(c2c1C(=O)c1ocnc1C2=O)c1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.048g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.25g/mol
Monoisotopic Mass:
292.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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