Cas no 888967-52-0 (3-Pyridinecarbonitrile, 2-[3-(hydroxymethyl)phenoxy]-)
![3-Pyridinecarbonitrile, 2-[3-(hydroxymethyl)phenoxy]- structure](https://ossimg.kuujia.com/scimg/889000/888967-52-0x500.png)
888967-52-0 structure
Product Name:3-Pyridinecarbonitrile, 2-[3-(hydroxymethyl)phenoxy]-
CAS No:888967-52-0
MF:C13H10N2O2
MW:226.230702877045
CID:1933740
PubChem ID:59599593
Update Time:2025-04-21
3-Pyridinecarbonitrile, 2-[3-(hydroxymethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 2-[3-(hydroxymethyl)phenoxy]-
- 888967-52-0
- SCHEMBL3167158
- 2-[3-(Hydroxymethyl)phenoxy]-3-pyridinecarbonitrile
- DB-392369
- AKOS010945721
-
- Inchi： 1S/C13H10N2O2/c14-8-11-4-2-6-15-13(11)17-12-5-1-3-10(7-12)9-16/h1-7,16H,9H2
- InChI Key： SUVVHDWNMDTVGJ-UHFFFAOYSA-N
- SMILES： O(C1C(C#N)=CC=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
3-Pyridinecarbonitrile, 2-[3-(hydroxymethyl)phenoxy]- Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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