Cas no 146885-97-4 (3-Pyridineethanol,1-oxide)
3-Pyridineethanol,1-oxide structure
Product Name:3-Pyridineethanol,1-oxide
CAS No:146885-97-4
MF:C7H9NO2
MW:139.151861906052
CID:105466
Update Time:2024-01-24
3-Pyridineethanol,1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridineethanol,1-oxide
- 3-Pyridineethanol,1-oxide(9CI)
- Reaxys ID: 5807279
- 3-Pyridineethanol, 1-oxide
-
- Inchi： 1S/C7H9NO2/c9-5-3-7-2-1-4-8(10)6-7/h1-2,4,6,9H,3,5H2
- InChI Key： CGIAMKHCOMHVOQ-UHFFFAOYSA-N
- SMILES： C1[N+]([O-])=CC=CC=1CCO
Computed Properties
- Exact Mass: 139.063
- Monoisotopic Mass: 139.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 97.6
- 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: 45.7A^2
Experimental Properties
- Density: 1.14±0.1 g/cm3(Predicted)
- Boiling Point: 374.2±17.0 °C(Predicted)
- pka: 14.46±0.10(Predicted)
3-Pyridineethanol,1-oxide Related Literature
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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