Cas no 170859-78-6 (3-(6-methyl-2-pyridinyl)-2-Propyn-1-ol)
170859-78-6 structure
Product Name:3-(6-methyl-2-pyridinyl)-2-Propyn-1-ol
CAS No:170859-78-6
MF:C9H9NO
MW:147.173862218857
CID:111372
PubChem ID:45079376
Update Time:2025-04-18
3-(6-methyl-2-pyridinyl)-2-Propyn-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 3-(6-methyl-2-pyridinyl)-2-Propyn-1-ol
- 2-Propyn-1-ol,3-(6-methyl-2-pyridinyl)-
- 3-(6-methylpyridin-2-yl)prop-2-yn-1-ol
- 2-Propyn-1-ol, 3-(6-methyl-2-pyridinyl)- (9CI)
- SCHEMBL3346419
- AKOS027400130
- DTXSID501281775
- 170859-78-6
- F2167-5413
- FT-0764695
-
- Inchi： 1S/C9H9NO/c1-8-4-2-5-9(10-8)6-3-7-11/h2,4-5,11H,7H2,1H3
- InChI Key： WWGSGDUAHBSTER-UHFFFAOYSA-N
- SMILES： OCC#CC1=CC=CC(C)=N1
Computed Properties
- Exact Mass: 147.06847
- Monoisotopic Mass: 147.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 177
- 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
- Topological Polar Surface Area: 33.1A^2
- XLogP3: 0.8
Experimental Properties
- PSA: 33.12
3-(6-methyl-2-pyridinyl)-2-Propyn-1-ol Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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