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59953-98-9 | 3-Hydroxyquinoline N-oxide
CAS No: 59953-98-9 Catalog No: AG00EG6W MDL No:
Product Description
Catalog Number:
AG00EG6W
Chemical Name:
3-Hydroxyquinoline N-oxide
CAS Number:
59953-98-9
IUPAC Name:
1-oxidoquinolin-1-ium-3-ol
InChI:
InChI=1S/C9H7NO2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11H
InChI Key:
WXOCAKHNPIOFBW-UHFFFAOYSA-N
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
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