Cas no 1823907-47-6 (5-Isoxazoleethanol)
5-Isoxazoleethanol structure
Product Name:5-Isoxazoleethanol
CAS No:1823907-47-6
MF:C5H7NO2
MW:113.114581346512
CID:6645582
PubChem ID:19764725
Update Time:2024-03-01
5-Isoxazoleethanol Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazoleethanol
-
- Inchi： 1S/C5H7NO2/c7-4-2-5-1-3-6-8-5/h1,3,7H,2,4H2
- InChI Key： JKGYVENLYVCGJA-UHFFFAOYSA-N
- SMILES： O1C(=CC=N1)CCO
Computed Properties
- Exact Mass: 113.047678466g/mol
- Monoisotopic Mass: 113.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 67.4
- 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: 0
- Topological Polar Surface Area: 46.3?2
5-Isoxazoleethanol Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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