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827322-22-5 | Oxazolo[4,5-g]quinoline-4,9-dione, 2-amino-8-phenyl-, 5-oxide
CAS No: 827322-22-5 Catalog No: AG004ZW4 MDL No:
Product Description
Catalog Number:
AG004ZW4
Chemical Name:
Oxazolo[4,5-g]quinoline-4,9-dione, 2-amino-8-phenyl-, 5-oxide
CAS Number:
827322-22-5
Molecular Formula:
C16H9N3O4
Molecular Weight:
307.2604
IUPAC Name:
2-amino-5-oxido-8-phenyl-[1,3]oxazolo[4,5-g]quinolin-5-ium-4,9-dione
InChI:
InChI=1S/C16H9N3O4/c17-16-18-11-13(20)10-9(8-4-2-1-3-5-8)6-7-19(22)12(10)14(21)15(11)23-16/h1-7H,(H2,17,18)
InChI Key:
SRQDHKRTUUHELU-UHFFFAOYSA-N
SMILES:
Nc1oc2c(n1)C(=O)c1c(C2=O)[n+]([O-])ccc1c1ccccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.059g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.265g/mol
Monoisotopic Mass:
307.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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