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1127-45-3 | 8-Quinolinol, 1-oxide
CAS No: 1127-45-3 Catalog No: AG00HCFA MDL No:MFCD00006739
Product Description
Catalog Number:
AG00HCFA
Chemical Name:
8-Quinolinol, 1-oxide
CAS Number:
1127-45-3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00006739
IUPAC Name:
1-oxidoquinolin-1-ium-8-ol
InChI:
InChI=1S/C9H7NO2/c11-8-5-1-3-7-4-2-6-10(12)9(7)8/h1-6,11H
InChI Key:
FJKUOCCQEBLPNX-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc2c1c(O)ccc2
EC Number:
214-430-3
UNII:
TMI4LD989P
NSC Number:
21656
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Identifying chelators for metalloprotein inhibitors using a fragment-based approach. | Journal of medicinal chemistry 20110127 |
| 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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