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6563-13-9 | 6-Methoxyquinolin N-oxide
CAS No: 6563-13-9 Catalog No: AG0036V0 MDL No:MFCD00009771
Product Description
Catalog Number:
AG0036V0
Chemical Name:
6-Methoxyquinolin N-oxide
CAS Number:
6563-13-9
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00009771
IUPAC Name:
6-methoxy-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C10H9NO2/c1-13-9-4-5-10-8(7-9)3-2-6-11(10)12/h2-7H,1H3
InChI Key:
BWEGRKPOJXNZSK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc[n+]2[O-]
NSC Number:
77096
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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