Cas no 173900-26-0 (2-(5-(3-Hydroxypropyl)isoxazol-3-yl)acetonitrile)
173900-26-0 structure
Product Name:2-(5-(3-Hydroxypropyl)isoxazol-3-yl)acetonitrile
CAS No:173900-26-0
MF:C8H10N2O2
MW:166.177201747894
CID:111633
Update Time:2023-08-02
2-(5-(3-Hydroxypropyl)isoxazol-3-yl)acetonitrile Chemical and Physical Properties
Names and Identifiers
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- 3-Isoxazoleacetonitrile,5-(3-hydroxypropyl)-
- 3-Isoxazoleacetonitrile,5-(3-hydroxypropyl)-(9CI)
- 2-(5-(3-hydroxypropyl)isoxazol-3-yl)acetonitrile
- 2-(5-(3-Hydroxypropyl)isoxazol-3-yl)acetonitrile
-
- Inchi： 1S/C8H10N2O2/c9-4-3-7-6-8(12-10-7)2-1-5-11/h6,11H,1-3,5H2
- InChI Key： IMCHMNLSCRCHRW-UHFFFAOYSA-N
- SMILES： O1C(=CC(CC#N)=N1)CCCO
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 175
- Topological Polar Surface Area: 70
2-(5-(3-Hydroxypropyl)isoxazol-3-yl)acetonitrile Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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