Cas no 54618-45-0 (2-Quinolinecarboxaldehyde,1-oxide)
54618-45-0 structure
Product Name:2-Quinolinecarboxaldehyde,1-oxide
CAS No:54618-45-0
MF:C10H7NO2
MW:173.168082475662
CID:385292
PubChem ID:4672393
Update Time:2025-04-19
2-Quinolinecarboxaldehyde,1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2-Quinolinecarboxaldehyde,1-oxide
- 1-Oxido-2-chinolylcarbaldehyd
- 1-oxyquinoline-2-carbaldehyde
- 1-oxy-quinoline-2-carbaldehyde
- 2-quinolinecarboxyaldehyde 1-oxide
- AC1NGBQ2
- Chinolin-aldehyd-(2)-oxyd-(1)
- N-oxy-quinoline-2-carbaldehyde
- NSC140002
- quinoline-N-oxide-2-carbaldehyde
- DTXSID30405423
- 1-Oxo-1lambda~5~-quinoline-2-carbaldehyde
- AKOS004114672
- NSC-140002
- 2-Formylquinoline 1-oxide
- SCHEMBL16180805
- 54618-45-0
-
- Inchi： 1S/C10H7NO2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-7H
- InChI Key： ANHVXVZNBBSECV-UHFFFAOYSA-N
- SMILES： [O-][N+]1C(C=O)=CC=C2C=CC=CC=12
Computed Properties
- Exact Mass: 174.05554
- Monoisotopic Mass: 173.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 195
- 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: 1
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 37.15
2-Quinolinecarboxaldehyde,1-oxide Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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