Cas no 88284-13-3 (3-Quinolinecarboxylic acid, 2-ethoxy-)
88284-13-3 structure
Product Name:3-Quinolinecarboxylic acid, 2-ethoxy-
CAS No:88284-13-3
MF:C12H11NO3
MW:217.220643281937
CID:638795
PubChem ID:28952285
Update Time:2025-04-19
3-Quinolinecarboxylic acid, 2-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Quinolinecarboxylic acid, 2-ethoxy-
- 2-ethoxyquinoline-3-carboxylic acid
- SCHEMBL4228872
- 88284-13-3
- DTXSID30651847
-
- Inchi： 1S/C12H11NO3/c1-2-16-11-9(12(14)15)7-8-5-3-4-6-10(8)13-11/h3-7H,2H2,1H3,(H,14,15)
- InChI Key： QCHYXCVMLLIGTA-UHFFFAOYSA-N
- SMILES： O(CC)C1=C(C(=O)O)C=C2C=CC=CC2=N1
Computed Properties
- Exact Mass: 217.07389321g/mol
- 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: 2.4
- Topological Polar Surface Area: 59.4?2
3-Quinolinecarboxylic acid, 2-ethoxy- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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