Cas no 888967-58-6 (Benzonitrile, 3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]-)
![Benzonitrile, 3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]- structure](https://ossimg.kuujia.com/scimg/889000/888967-58-6x500.png)
888967-58-6 structure
Product Name:Benzonitrile, 3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]-
CAS No:888967-58-6
MF:C13H10N2O2
MW:226.230702877045
CID:1934007
PubChem ID:59599586
Update Time:2025-04-21
Benzonitrile, 3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]-
- SCHEMBL3173071
- 3-[[5-(Hydroxymethyl)-2-pyridinyl]oxy]benzonitrile
- DB-394364
- AKOS019194802
- 888967-58-6
-
- Inchi： 1S/C13H10N2O2/c14-7-10-2-1-3-12(6-10)17-13-5-4-11(9-16)8-15-13/h1-6,8,16H,9H2
- InChI Key： WRPCLOLJAOARSL-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C#N)C=1)C1C=CC(=CN=1)CO
Computed Properties
- Exact Mass: 226.074227566Da
- Monoisotopic Mass: 226.074227566Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 286
- 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: 1.5
- Topological Polar Surface Area: 66.1?2
Benzonitrile, 3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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