Cas no 268-66-6 (Naphth[2,3-c]isoxazole(8CI,9CI))
![Naphth[2,3-c]isoxazole(8CI,9CI) structure](https://ossimg.kuujia.com/scimg/500/268-66-6x500.png)
268-66-6 structure
Product Name:Naphth[2,3-c]isoxazole(8CI,9CI)
CAS No:268-66-6
MF:C11H7NO
MW:169.179382562637
CID:249485
PubChem ID:45121125
Update Time:2025-04-19
Naphth[2,3-c]isoxazole(8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Naphth[2,3-c]isoxazole(8CI,9CI)
- benzo[f][2,1]benzoxazole
- 268-66-6
- DTXSID00669136
- NAPHTHO[2,3-C][1,2]OXAZOLE
-
- Inchi： 1S/C11H7NO/c1-2-4-9-6-11-10(7-13-12-11)5-8(9)3-1/h1-7H
- InChI Key： JZOKDVGUQNAZJT-UHFFFAOYSA-N
- SMILES： O1C=C2C=C3C=CC=CC3=CC2=N1
Computed Properties
- Exact Mass: 169.05281
- Monoisotopic Mass: 169.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 195
- 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
- Topological Polar Surface Area: 26A^2
- XLogP3: 3
Experimental Properties
- PSA: 26.03
Naphth[2,3-c]isoxazole(8CI,9CI) Related Literature
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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