Cas no 154099-32-8 (2H-Isoxazolo[5,4-d]azonine(9CI))
![2H-Isoxazolo[5,4-d]azonine(9CI) structure](https://ossimg.kuujia.com/scimg/154500/154099-32-8x500.png)
154099-32-8 structure
Product Name:2H-Isoxazolo[5,4-d]azonine(9CI)
CAS No:154099-32-8
MF:C9H8N2O
MW:160.17262172699
CID:106452
PubChem ID:136231692
Update Time:2025-04-18
2H-Isoxazolo[5,4-d]azonine(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Isoxazolo[5,4-d]azonine(9CI)
- 2H-[1,2]oxazolo[5,4-d]azonine
- 154099-32-8
- DTXSID90667808
- 2h-isoxazolo[5,4-d]azonine
- (4Z,6Z,8Z,10E)-2H-[1,2]Oxazolo[5,4-d]azonine
-
- Inchi： 1S/C9H8N2O/c1-2-5-10-6-4-9-8(3-1)7-11-12-9/h1-7,10H/b3-1-,5-2-,6-4-
- InChI Key： ZKAXWMMYAFBRQE-OSOWKVBCSA-N
- SMILES： O1C2C=CNC=CC=CC=2C=N1 |c:2,5,7|
Computed Properties
- Exact Mass: 160.06374
- Monoisotopic Mass: 160.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 321
- 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: 33.6A^2
- XLogP3: 1.7
Experimental Properties
- PSA: 33.62
2H-Isoxazolo[5,4-d]azonine(9CI) Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
154099-32-8 (2H-Isoxazolo[5,4-d]azonine(9CI)) Related Products
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