Cas no 106253-12-7 ([1,3]Dioxolo[4,5-f]-1,2-benzisoxazole(9CI))
106253-12-7 structure
Product Name:[1,3]Dioxolo[4,5-f]-1,2-benzisoxazole(9CI)
CAS No:106253-12-7
MF:C8H5NO3
MW:163.130202054977
CID:127049
PubChem ID:20147360
Update Time:2025-04-18
[1,3]Dioxolo[4,5-f]-1,2-benzisoxazole(9CI) Chemical and Physical Properties
Names and Identifiers
-
- [1,3]Dioxolo[4,5-f]-1,2-benzisoxazole(9CI)
- [1,3]dioxolo[4,5-f][1,2]benzoxazole
- 6H-[1,3]Dioxolo[4,5-f][1,2]benzoxazole
- 106253-12-7
- SCHEMBL9827235
- [1,3]Dioxolo[4',5':4,5]benzo[1,2-d]isoxazole
- DTXSID30602970
-
- Inchi: 1S/C8H5NO3/c1-5-3-9-12-6(5)2-8-7(1)10-4-11-8/h1-3H,4H2
- InChI Key: KJSISJFODOOKNG-UHFFFAOYSA-N
- SMILES: O1COC2C=C3C(C=NO3)=CC1=2
Computed Properties
- Exact Mass: 163.026943022g/mol
- Monoisotopic Mass: 163.026943022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 187
- 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: nothing
- XLogP3: 1.5
- Topological Polar Surface Area: 44.5?2
[1,3]Dioxolo[4,5-f]-1,2-benzisoxazole(9CI) Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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