Cas no 62189-87-1 (7-Quinolinecarboxylic acid, 8-ethoxy-)
62189-87-1 structure
Product Name:7-Quinolinecarboxylic acid, 8-ethoxy-
CAS No:62189-87-1
MF:C12H11NO3
MW:217.220643281937
CID:454920
PubChem ID:12328789
Update Time:2025-04-19
7-Quinolinecarboxylic acid, 8-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 7-Quinolinecarboxylic acid, 8-ethoxy-
- 8-ethoxyquinoline-7-carboxylic acid
- DTXSID10490130
- 62189-87-1
-
- Inchi： 1S/C12H11NO3/c1-2-16-11-9(12(14)15)6-5-8-4-3-7-13-10(8)11/h3-7H,2H2,1H3,(H,14,15)
- InChI Key： VVVJRPNWRJFCDQ-UHFFFAOYSA-N
- SMILES： O(CC)C1=C(C(=O)O)C=CC2=CC=CN=C12
Computed Properties
- Exact Mass: 217.07393
- Monoisotopic Mass: 217.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 257
- 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: 2.1
- Topological Polar Surface Area: 59.4?2
Experimental Properties
- PSA: 59.42
7-Quinolinecarboxylic acid, 8-ethoxy- Related Literature
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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