Cas no 105066-28-2 (2H-Cyclonon[d]isoxazole(9CI))
![2H-Cyclonon[d]isoxazole(9CI) structure](https://ossimg.kuujia.com/scimg/105500/105066-28-2x500.png)
2H-Cyclonon[d]isoxazole(9CI) structure
Product Name:2H-Cyclonon[d]isoxazole(9CI)
CAS No:105066-28-2
MF:C10H9NO
MW:159.184562444687
CID:126586
PubChem ID:45099186
Update Time:2025-04-18
2H-Cyclonon[d]isoxazole(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Cyclonon[d]isoxazole(9CI)
- 2H-cyclonona[d][1,2]oxazole
- 2H-Cyclonona[d]isoxazole
- 105066-28-2
- (4Z,6Z,8Z,10E)-2H-Cyclonona[d][1,2]oxazole
- DTXSID10667800
-
- Inchi： 1S/C10H9NO/c1-2-4-6-9-8-11-12-10(9)7-5-3-1/h1-8,11H/b2-1-,5-3-,6-4-,10-7+
- InChI Key： SIGSHFLWZQBCRL-NKBKKBNQSA-N
- SMILES： O1C2=CC=CC=CC=CC2=CN1 |c:3,5,7,t:1|
Computed Properties
- Exact Mass: 159.068
- Monoisotopic Mass: 159.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 319
- 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
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: 3
- Topological Polar Surface Area: 21.3A^2
Experimental Properties
- PSA: 28.93000
- LogP: 2.88530
2H-Cyclonon[d]isoxazole(9CI) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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