Cas no 50471-23-3 (1,2-Benzisoxazole-3-acetaldehyde(9CI))
50471-23-3 structure
Product Name:1,2-Benzisoxazole-3-acetaldehyde(9CI)
CAS No:50471-23-3
MF:C9H7NO2
MW:161.157382249832
CID:933772
PubChem ID:12474985
Update Time:2025-04-19
1,2-Benzisoxazole-3-acetaldehyde(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisoxazole-3-acetaldehyde(9CI)
- 2-(1,2-benzoxazol-3-yl)acetaldehyde
- 1,2-benzisoxazole-3-acetaldehyde
- DB-259113
- SCHEMBL11787899
- DTXSID20499674
- 50471-23-3
- 2-(benzo[d]isoxazol-3-yl)acetaldehyde
- (1,2-Benzoxazol-3-yl)acetaldehyde
-
- Inchi： 1S/C9H7NO2/c11-6-5-8-7-3-1-2-4-9(7)12-10-8/h1-4,6H,5H2
- InChI Key： UOXRJEWLPWENKO-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2C(CC=O)=N1
Computed Properties
- Exact Mass: 161.047678466g/mol
- Monoisotopic Mass: 161.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 1.1
- Topological Polar Surface Area: 43.1?2
1,2-Benzisoxazole-3-acetaldehyde(9CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
50471-23-3 (1,2-Benzisoxazole-3-acetaldehyde(9CI)) Related Products
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