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827322-19-0 | Oxazolo[4,5-g]quinoline-4,9-dione, 2-methyl-8-phenyl-, 5-oxide
CAS No: 827322-19-0 Catalog No: AG004UX2 MDL No:
Product Description
Catalog Number:
AG004UX2
Chemical Name:
Oxazolo[4,5-g]quinoline-4,9-dione, 2-methyl-8-phenyl-, 5-oxide
CAS Number:
827322-19-0
Molecular Formula:
C17H10N2O4
Molecular Weight:
306.2723
IUPAC Name:
2-methyl-5-oxido-8-phenyl-[1,3]oxazolo[4,5-g]quinolin-5-ium-4,9-dione
InChI:
InChI=1S/C17H10N2O4/c1-9-18-13-15(20)12-11(10-5-3-2-4-6-10)7-8-19(22)14(12)16(21)17(13)23-9/h2-8H,1H3
InChI Key:
UJBGLMFQUJCURN-UHFFFAOYSA-N
SMILES:
Cc1oc2c(n1)C(=O)c1c(C2=O)[n+]([O-])ccc1c1ccccc1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.064g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.277g/mol
Monoisotopic Mass:
306.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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