Cas no 88284-18-8 (3-Quinolinecarboxylic acid, 2-(4-methylphenoxy)-)
88284-18-8 structure
Product Name:3-Quinolinecarboxylic acid, 2-(4-methylphenoxy)-
CAS No:88284-18-8
MF:C17H13NO3
MW:279.290024518967
CID:638790
PubChem ID:28952371
Update Time:2025-04-19
3-Quinolinecarboxylic acid, 2-(4-methylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Quinolinecarboxylic acid, 2-(4-methylphenoxy)-
- 2-(4-methylphenoxy)quinoline-3-carboxylic acid
- 2-(p-Tolyloxy)quinoline-3-carboxylic acid
- 88284-18-8
- SCHEMBL12386822
- DTXSID50651849
-
- Inchi： 1S/C17H13NO3/c1-11-6-8-13(9-7-11)21-16-14(17(19)20)10-12-4-2-3-5-15(12)18-16/h2-10H,1H3,(H,19,20)
- InChI Key： WHVVOSRRNBDYHU-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C)=CC=1)C1=C(C(=O)O)C=C2C=CC=CC2=N1
Computed Properties
- Exact Mass: 279.08954328g/mol
- Monoisotopic Mass: 279.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 365
- 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: 3.9
- Topological Polar Surface Area: 59.4?2
3-Quinolinecarboxylic acid, 2-(4-methylphenoxy)- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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