Cas no 59953-98-9 (1-oxidoquinolin-1-ium-3-ol)
1-oxidoquinolin-1-ium-3-ol structure
Product Name:1-oxidoquinolin-1-ium-3-ol
CAS No:59953-98-9
MF:C9H7NO2
MW:161.157382249832
CID:1617801
PubChem ID:595234
Update Time:2025-04-21
1-oxidoquinolin-1-ium-3-ol Chemical and Physical Properties
Names and Identifiers
-
- 1-oxidoquinolin-1-ium-3-ol
- 3-Quinolinol 1-oxide
- CTK1D8979
- AC1LC6K0
- SureCN4164409
- 3-hydroxyquinoline N-oxide
- 3-hydroxyquinoline-1-oxide
- SCHEMBL4164409
- 59953-98-9
- DTXSID80344232
- DB-083010
- 3-Hydroxyquinoline 1-oxide
-
- 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
- SMILES： OC1=C[N+](=C2C=CC=CC2=C1)[O-]
Computed Properties
- Exact Mass: 161.04800
- Monoisotopic Mass: 161.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 163
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 45.7?2
Experimental Properties
- PSA: 45.69000
- LogP: 1.97390
1-oxidoquinolin-1-ium-3-ol Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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