Cas no 816448-95-0 (4-Quinolinecarboxylicacid,5-hydroxy-6-methyl-(9CI))
816448-95-0 structure
Product Name:4-Quinolinecarboxylicacid,5-hydroxy-6-methyl-(9CI)
CAS No:816448-95-0
MF:C11H9NO3
MW:203.194062948227
CID:715497
PubChem ID:136274634
Update Time:2025-04-19
4-Quinolinecarboxylicacid,5-hydroxy-6-methyl-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Quinolinecarboxylicacid,5-hydroxy-6-methyl-(9CI)
- 6-methyl-5-oxo-1H-quinoline-4-carboxylic acid
- 816448-95-0
- SCHEMBL5761122
- 4-quinolinecarboxylic acid,5-hydroxy-6-methyl-
- DTXSID401250652
- 5-hydroxy-6-methyl-4-quinolinecarboxylic acid
- 5-Hydroxy-6-methylquinoline-4-carboxylic acid
-
- Inchi： 1S/C11H9NO3/c1-6-2-3-8-9(10(6)13)7(11(14)15)4-5-12-8/h2-5,13H,1H3,(H,14,15)
- InChI Key： QQBFBPUFNXGVGB-UHFFFAOYSA-N
- SMILES： OC1=C(C)C=CC2C1=C(C(=O)O)C=CN=2
Computed Properties
- Exact Mass: 203.058243149g/mol
- Monoisotopic Mass: 203.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 256
- 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: 1.7
- Topological Polar Surface Area: 70.4?2
4-Quinolinecarboxylicacid,5-hydroxy-6-methyl-(9CI) Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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