Cas no 170954-08-2 (Benzoic acid, 2-(2-quinolinyl)-)
170954-08-2 structure
Product Name:Benzoic acid, 2-(2-quinolinyl)-
CAS No:170954-08-2
MF:C16H11NO2
MW:249.264044046402
CID:1358525
Update Time:2024-08-17
Benzoic acid, 2-(2-quinolinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(2-quinolinyl)-
- 2-[2]quinolyl-benzoic acid
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- Inchi： 1S/C16H11NO2/c18-16(19)13-7-3-2-6-12(13)15-10-9-11-5-1-4-8-14(11)17-15/h1-10H,(H,18,19)
- InChI Key： PXFNQBJJGDVHER-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC=CC=C1C1C=CC2C(N=1)=CC=CC=2
Computed Properties
- Exact Mass: 249.07903
Experimental Properties
- Density: 1.280±0.06 g/cm3(Predicted)
- Boiling Point: 439.6±25.0 °C(Predicted)
- PSA: 50.19
- pka: 2.81±0.36(Predicted)
Benzoic acid, 2-(2-quinolinyl)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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