Cas no 763109-44-0 ((5-(4-Isobutylphenyl)isoxazol-3-YL)methanol)
763109-44-0 structure
Product Name:(5-(4-Isobutylphenyl)isoxazol-3-YL)methanol
CAS No:763109-44-0
MF:C14H17NO2
MW:231.290283918381
CID:982546
Update Time:2023-08-02
(5-(4-Isobutylphenyl)isoxazol-3-YL)methanol Chemical and Physical Properties
Names and Identifiers
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- (5-(4-ISOBUTYLPHENYL)ISOXAZOL-3-YL)METHANOL
- (5-(4-ISOBUTYLPHENYL)-3-ISOXAZOLYL)METHANOL
- (5-(4-Isobutylphenyl)isoxazol-3-YL)methanol
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- Inchi： 1S/C14H17NO2/c1-10(2)7-11-3-5-12(6-4-11)14-8-13(9-16)15-17-14/h3-6,8,10,16H,7,9H2,1-2H3
- InChI Key： NJFWCDXRLPZZPQ-UHFFFAOYSA-N
- SMILES： O1C(=CC(CO)=N1)C1C=CC(=CC=1)CC(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 224
- Topological Polar Surface Area: 46.3
(5-(4-Isobutylphenyl)isoxazol-3-YL)methanol Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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