Cas no 53155-26-3 (1,2-benzisoxazole, 3,5-dimethyl-)
53155-26-3 structure
Product Name:1,2-benzisoxazole, 3,5-dimethyl-
CAS No:53155-26-3
MF:C9H9NO
MW:147.173862218857
CID:938022
PubChem ID:4283186
Update Time:2025-04-19
1,2-benzisoxazole, 3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-benzisoxazole, 3,5-dimethyl-
- 3,5-Dimethyl-1,2-benzisoxazol
- 3,5-dimethyl-1,2-benzisoxazole
- 3,5-Dimethylbenzothiophene
- 3,5-dimethylthianapthene
- 53155-26-3
- 3,5-dimethylbenzo[d]isoxazole
- SCHEMBL5985206
- 1,2-Benzisoxazole,3,5-dimethyl-
- DTXSID801306675
- AKOS006272030
-
- Inchi： 1S/C9H9NO/c1-6-3-4-9-8(5-6)7(2)10-11-9/h3-5H,1-2H3
- InChI Key： MUTJYHVVSHWJDE-UHFFFAOYSA-N
- SMILES： O1C2C=CC(C)=CC=2C(C)=N1
Computed Properties
- Exact Mass: 147.06800
- Monoisotopic Mass: 147.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 149
- 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
- XLogP3: 2.5
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03000
- LogP: 2.44460
1,2-benzisoxazole, 3,5-dimethyl- Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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