Cas no 888967-53-1 (4-Pyridinecarbonitrile, 2-[3-(hydroxymethyl)phenoxy]-)
![4-Pyridinecarbonitrile, 2-[3-(hydroxymethyl)phenoxy]- structure](https://ossimg.kuujia.com/scimg/889000/888967-53-1x500.png)
888967-53-1 structure
Product Name:4-Pyridinecarbonitrile, 2-[3-(hydroxymethyl)phenoxy]-
CAS No:888967-53-1
MF:C13H10N2O2
MW:226.230702877045
CID:1934006
PubChem ID:59599460
Update Time:2025-04-21
4-Pyridinecarbonitrile, 2-[3-(hydroxymethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarbonitrile, 2-[3-(hydroxymethyl)phenoxy]-
- PTWBDNNLAKZMKA-UHFFFAOYSA-N
- AKOS010945674
- SCHEMBL3158059
- 888967-53-1
- 2-[3-(Hydroxymethyl)phenoxy]-4-pyridinecarbonitrile
- DB-392370
- 2-(3-hydroxymethyl-phenoxy)-isonicotinonitrile
-
- Inchi： 1S/C13H10N2O2/c14-8-10-4-5-15-13(7-10)17-12-3-1-2-11(6-12)9-16/h1-7,16H,9H2
- InChI Key： PTWBDNNLAKZMKA-UHFFFAOYSA-N
- SMILES： O(C1C=C(C#N)C=CN=1)C1=CC=CC(CO)=C1
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
4-Pyridinecarbonitrile, 2-[3-(hydroxymethyl)phenoxy]- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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